C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 371.35 | - |
| Ingingo yo gushonga (Ubushakashatsi) | 152 ° C. | - |
| Ubucucike (Biteganijwe) | 1.70 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr |
| pKa (Byahanuwe) | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical 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 Urufunguzo
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Andi mazina kuriyi ngingo
Benzamide, N- (9-β-D-ribofuranosyl-9H-purin-6-yl) - (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Ibyiza birahari |
| Ubushyuhe |
Ubushyuhe
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ingingo yo gushonga | 152 ° C. | (1) IC | |
(1) Gopalakrishnan, Vidhya; Ibikorwa - Ishuri Rikuru ryUbumenyi, Ubumenyi bwa Shimi, (1989), 101 (5), 401-13, CAplus
Spectra irahari
1H NMR
13C NMR
Hetero NMR
IR
| Ibyiza birahari |
| Ibinyabuzima |
| Imiti |
| Ubucucike |
| Lipinski |
| Imiterere ijyanye |
Ibinyabuzima
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.0 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.83 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.56 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.67 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.68 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.65 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 2.37 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.16 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
.
Imiti
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Koc | 12.6 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 48.2 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 67.3 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 70.1 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 70.3 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 69.5 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 62.2 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 30.5 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 5.54 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Koc | 1.22 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.12 | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.70 | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.85 | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.86 | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.87 | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.86 | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.81 | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | 0.50 | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.24 | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.89 | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| logP | 0.868 ± 0.577 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 0.037 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.22 g / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.056 g / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.041 g / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.041 g / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.037 g / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.041 g / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.045 g / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.089 g / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.48 g / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 2.2 g / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Gukemura ibibazo | 0.041 g / L. | Amazi adafite amazi pH 5.93; Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 5.8 x 10-4 mol / L. | pH 1; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.5 x 10-4 mol / L. | pH 2; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-4 mol / L. | pH 3; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-4 mol / L. | pH 4; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.0 x 10-4 mol / L. | pH 5; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-4 mol / L. | pH 6; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.2 x 10-4 mol / L. | pH 7; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 2.4 x 10-4 mol / L. | pH 8; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.3 x 10-3 mol / L. | pH 9; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 6.0 x 10-3 mol / L. | pH 10; Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 1.1 x 10-4 mol / L. | Amazi adafite amazi pH 5.93; Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 371.35 | ||
| pKa | 7.87 ± 0.43 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | 1.39 ± 0.10 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
Ubucucike
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.70 ± 0.1 g / cm3 | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 217.3 ± 7.0 cm3 / mol | Ubushyuhe: 20 ° C; Kanda: 760 Torr | (1) ACD |
.
Lipinski
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 6 | (1) ACD | |
| H Abakira | 10 | (1) ACD | |
| H Abaterankunga | 4 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 14 | (1) ACD | |
| logP | 0.868 ± 0.577 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 371.35 |
.
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubuso bwa polarike | 143 A2 | (1) ACD | |
.
Spectra irahari
1H NMR
13C NMR
| Kode | Amagambo ya Hazard | Inkomoko |
| H333 | Birashobora kuba bibi iyo ushizemo umwuka | Impuguke Yatunganijwe |
| H303 | Birashobora kuba bibi iyo umizwe | Impuguke Yatunganijwe |
| H302 | Byangiza niba byamizwe | Ikigo cy’uburayi gishinzwe imiti (ECHA) Itondekanya & Ibarura ryamenyeshejwe - Kumenyeshwa ibyiciro no kumenyekanisha - kumenyeshwa cyane, Ikigo cy’Uburayi gishinzwe imiti (ECHA) Ibyiciro & Ibirango - Kumenyekanisha ibyiciro no gushyiramo ikimenyetso - kumenyesha bikomeye |
Urutonde rugenzura: SHAKA, TCSI
Amakuru Yubucuruzi Yibanga: Rusange
| Amagambo asobanura | ||
| Adenosine, N-benzoyl- | SHAKA, TCSI | - |
| N- {9 - [((2R, 3R, 4S, 5R) -3,4-dihydroxy-5- | SHAKA | - |
| N6-Benzoyladenosine | SHAKA | - |
Ibisobanuro byigihugu / Mpuzamahanga & Izindi Urutonde Igihugu / Akarere Amakuru araboneka
Incamake y’ubumwe bw’ibihugu by’i Burayi
Ibarura ryimiterere kuri REACH Urutonde rwibintu byanditswe
https://echa.europa.eu/ibintu-amakuru/-/substanceinfo/100.132.658
Urutonde rwumubare EC No.: 610-251-3
Tayiwani Incamake
Ibarura kuri TCSI Guverinoma ya Tayiwani G.a
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