![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302 E gosipụtara](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S) - (9CI, ACI) H319, H302
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 263.25 | - |
| Ebe mgbaze (nnwale) | 177.1-178.3 Celsius | - |
| Ebe a na-esi esi esi (buru amụma) | 666.6±55.0 Celsius | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.50±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 11.20± 0.20 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
Isomeric SMILES C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChi
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m
Igodo InChi
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Aha ndị ọzọ maka ihe a
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI); 1H-Pyrano [3,4-f] indolizine-3,6,10 (4H) -trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S) - (ZCI); (4S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) trione; (4S)-4-Ethyl-4-
hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10-trione; (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10 (4H) -trione
| Ngwongwo dị |
| Optical na agbasasị |
| Thermal |
Optical na agbasasị
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ike ntụgharị anya | + 120.6 nde | c: 0.62 g/100ml; Ihe mgbaze: Chloroform | (1) IC |
| Ike ntụgharị anya | + 120.57 nde | c: 0.62 g/100ml; Ihe mgbaze: Chloroform; Okpomọkụ: 20 Celsius C | (2) IC |
| Ike ntụgharị anya | + 119.57 nde | c: 1.0 g/100ml; Ihe mgbaze: Chloroform; λ: 589.3 nm; Okpomọkụ: 25 Celsius C | (3) CAS |
| Ike ntụgharị anya | + 119.57 Celsius mL/gdm | c: 1.0 g/100ml; Ihe mgbaze: Chloroform; λ: eriri sodium D; Okpomọkụ: 25 Celsius C | (4) CAS |
| Ike ntụgharị anya | + 117.6 nde | c: 0,56 g/100ml; Ihe mgbaze: Chloroform; Okpomọkụ: 23 Celsius C | (5) IC |
| Ike ntụgharị anya | + 116.14 Celsius mL/gdm | c: 1.0 g/100ml; Ihe mgbaze: Chloroform; λ: eriri sodium D; Okpomọkụ: 26 Celsius C | (4) CAS |
| Ike ntụgharị anya | + 96 nkeji | c: 0.40 g/100ml; Okpomọkụ: 21C | (6) IC |
| Ike ntụgharị anya | + 77.8 nde | c: 0.62 g/100ml; Ihe mgbaze: Chloroform; λ: 589.3 nm; Okpomọkụ: 25 Celsius C | (7) CAS |
(1) Terasawa, Hirofumi; Akwụkwọ akụkọ Chemical & Pharmaceutical, (1989), 37 (12), 3382-5, CAplus
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.; Akwụkwọ akụkọ nke Organic Chemistry, (1997), 62 (19), 6588-6597, CAplus
(4) Watanabe, Tatsuya; Chemistry - Akwụkwọ akụkọ Asia, (2013), 8 (3), 630-638, CAplus
(5) Ejima, Akio; Akwụkwọ akụkọ nke Chemical Society, Perkin azụmahịa 1: Organic na Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(6) Wani, Mansukh C.; Akwụkwọ akụkọ Chemistry Medicinal, (1987), 30 (12), 2317-19, CAplus
(7) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite | |
| Ebe mgbaze | 183-185 Celsius C (decomp) | (1) CAS | ||
| Ebe mgbaze | 177.1-178.3 Celsius | (2) CAS | ||
| Ebe mgbaze | 176-177 Celsius C (decomp) | (3) IC | ||
| Ebe mgbaze | 169-170 Celsius C | Ihe mgbaze: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, CAplus
(2) Henegar, Kevin E.; Akwụkwọ akụkọ nke Organic Chemistry, (1997), 62 (19), 6588-6597, CAplus
(3) Ejima, Akio; Akwụkwọ akụkọ nke Chemical Society, Perkin azụmahịa 1: Organic na Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(4) Wani, Mansukh C.; Akwụkwọ akụkọ Chemistry Medicinal, (1987), 30 (12), 2317-19, CAplus
Spectra dị
1H NMR
Mass
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.0 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 7.37 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.37 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 7.37 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 7.33 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 6.94 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.94 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.96 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | -0.936±0.842 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 371 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 392 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 371 g/L | Mmiri na-enweghị atụ pH 5.53; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.41 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.41 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.41 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.41 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.41 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.41 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite | |
| Solubility Molar | 1.41 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Solubility Molar | 1.41 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Solubility Molar | 1.41 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Solubility Molar | 1.41 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Solubility Molar | 1.49 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Solubility Molar | 1.41 mol / l | Mmiri na-enweghị atụ pH 5.53; Okpomọkụ: 25 Celsius C | (1) ACD | |
| Ibu molekụla | 263.25 | |||
| pKa | 11.20± 0.20 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD | |
| pKa | -2.24±0.40 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD | |
| Uzuoku Nrụgide | 1.29 x 10-20 | Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.50±0.1 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 174.8± 5.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 2 | (1) ACD | |
| H Ndị nnabata | 6 | (1) ACD | |
| H Ndị na-enye onyinye | 1 | (1) ACD | |
| H Donor/Anabata Nchikota | 7 | (1) ACD | |
| logP | -0.936±0.842 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 263.25 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 83.9 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 666.6±55.0 Celsius | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 112.17± 6.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 357.0±31.5C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
| Koodu | Nkwupụta egwu | Isi mmalite |
| H319 | Na-ebute oke iwe anya | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
| H302 | Na-emerụ ahụ ma ọ bụrụ na ejiri ya | European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&nyonye aha - Nhazi ọkwa na akara aha - ọkwa kacha njọ. |
Ozi nzuzo nzuzo: Ọha
| Okwu ndakọrịta | ||
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H) -trione | - | French |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f] indolizine-3,6,10(4H) -trione | - | French |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H) -trion | - | Dutch |
| (S) -4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H) -trion | - | Danish, German |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10(4H) -trion | - | Dutch |
| (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f] indolizine-3,6,10(4H) -trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Portuguese, Spanish |
| (S)-4-etil-4-hidroxi-7,8-dihidro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Portuguese, Spanish |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Ịtali |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Ịtali |
| (S)-4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Swedish |
| (S) -4-etyl-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f] indolizin-3,6,10(4H) -trion | - | Swedish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Asụsụ Finnish |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Asụsụ Finnish |
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