![C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3R- (3R*,4S*,5S*)]- (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3R- (3R*,4S*,5S*)]- (9CI) Foto egosipụtara H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) carbonyl] amino]-, 1,1-dimethylethyl ester, [3R- (3R*,4S*,5S*)]- (9CI) H301
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 365.46 | - |
| Ebe a na-esi esi esi (buru amụma) | 504.1±50.0 Celsius | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.091±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 11.82± 0.46 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
Isomeric SMILES [C@H]([C@@H](CC(OC(C)(C)C)=O)O(NC(OCC1=CC=CC=CC=C1)=O)[C@H] (CC)C
InChi
InChi=1S/C20H31NO5/c1-6-14(2)18(16(22)12-17(23)26-20(3,4)5)21- 19 (24) 25-13-15-10-8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3, (H,21,24)/t14-,16+,18-/m0/s1
Igodo InChi
AZTSBAWJROLRIQ-LESCRADOSA-N
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 616 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 617 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 616 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 604 | 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 | 3450 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3460 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3450 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 3390 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 3.97 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.97 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 3.96 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 3.974± 0.543 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 0.062 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.062 g/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.7 x 10-4 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 1.7 x 10-4 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol / l | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 365.46 | ||
| pKa | 11.82± 0.46 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -1.56±0.70 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 5.56 x 10-11 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 | 1.091±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 334.7± 3.0 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 | 12 | (1) ACD | |
| H Ndị nnabata | 6 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 8 | (1) ACD | |
| logP | 3.974± 0.543 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 365.46 |
(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 | 84.9 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 | 504.1±50.0 Celsius | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 81.44± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 258.6±30.1 Celsius | (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 |
| H301 | Na-egbu egbu ma ọ bụrụ na-eloda 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. |
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