C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 371.35 | - |
| Ebe mgbaze (nnwale) | 152 Celsius C | - |
| Njupụta (buru amụma) | 1.70±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr |
| pKa (buru amụma) | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
Isomeric SMILES O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChi
InChi=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21- 16 (26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26 )/t10-,12-,13-,17-/m1/s1
InChi Igodo
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Aha ndị ọzọ maka ihe a
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Ngwongwo dị |
| Thermal |
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe Na-agbaze | 152 Celsius C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Usoro - Ụlọ akwụkwọ sayensị nke India, sayensị kemịkalụ, (1989), 101(5), 401-13, CAplus
Spectra dị
1H NMR
13C NMR
Hetero NMR
IR
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.0 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.83 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.56 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.67 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.68 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.65 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 2.37 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.16 | 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 | 12.6 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 48.2 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 67.3 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70.1 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 70.3 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 69.5 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 62.2 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 30.5 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 5.54 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 1.22 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.12 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.70 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.85 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.86 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.87 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.86 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0.81 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 0,50 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.24 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.89 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 0.868± 0.577 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 0.037 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.22 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.056 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.041 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.041 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.037 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.041 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.045 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.089 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.48 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 2.2 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Uka Solubility | 0.041 g/L | Mmiri na-enweghị atụ pH 5.93;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 1.0 x 10-4 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 5.8 x 10-4 mol / l | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.5 x 10-4 mol / l | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol / l | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol / l | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.0 x 10-4 mol / l | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol / l | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.2 x 10-4 mol / l | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.4 x 10-4 mol / l | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.3 x 10-3 mol / l | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 6.0 x 10-3 mol / l | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 1.1 x 10-4 mol / l | Mmiri na-enweghị atụ pH 5.93;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 371.35 | ||
| pKa | 7.87± 0.43 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | 1.39±0.10 | Okpomọkụ kachasị mma: 25 Celsius | (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 | 1.70±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
| Olu Molar | 217.3 ± 7.0 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 | 6 | (1) ACD | |
| H Ndị nnabata | 10 | (1) ACD | |
| H Ndị na-enye onyinye | 4 | (1) ACD | |
| H Donor/Anabata Nchikota | 14 | (1) ACD | |
| logP | 0.868± 0.577 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 371.35 |
(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 | 143 A2 | (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 |
| H333 | Enwere ike imebi ma ọ bụrụ ikuru ume | Achọpụtara ọkachamara |
| H303 | Nwere ike imerụ ahụ ma iloro ya | Achọpụtara ọkachamara |
| 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. |
Ndepụta usoro iwu: REACH, TCSI
Ozi nzuzo nzuzo: Ọha
| Okwu ndakọrịta | ||
| Adenosine, N-benzoyl- | Nweta, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | rute | - |
| N6-Benzoyladenosine | rute | - |
Nkọwa site na obodo/mba mba na ozi obodo/mpaghara ndepụta ndị ọzọ dị
Nchịkọta European Union
Ọnọdụ ngwa ahịa dị na ndepụta REACH nke ihe edebanyere aha
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Nọmba ndepụta ndezi iwu EC No.: 610-251-3
Nchịkọta Taiwan
Ọnọdụ ngwa ahịa na gọọmentị TCSI Taiwan Ga
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