C17H17N5O5 Adenozin, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 371.35 | - |
| Pwen fizyon (eksperimantal) | 152 °C | - |
| Dansite (Prevwa) | 1.70±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 7.87±0.43 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
SORI izomeri 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 kle
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Lòt Non pou sibstans sa a
Benzamid, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI);N-Benzoyladenosine (ACI);N6-benzoiladenozin
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Pwosedi - Akademi Endyen Syans, Syans Chimik, (1989), 101(5), 401-13, CAplus
Spectre ki disponib
1H RMN
13C RMN
Etero RMN
IR
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.83 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.56 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.67 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.68 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.65 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2.37 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.16 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 12.6 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | 0.12 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | 0.70 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | 0.85 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | 0.86 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | 0.87 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | 0.86 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | 0.81 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | 0.50 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | -0.24 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | -0.89 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | 0.868±0.577 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 0.037 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.22 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.056 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.041 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.041 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.037 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.041 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.045 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.089 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.48 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 2.2 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite mas | 0.041 g/L | Dlo san tampon pH 5.93;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 1.0 x 10-4 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 5.8 x 10-4 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.5 x 10-4 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-4 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-4 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.0 x 10-4 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-4 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.2 x 10-4 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.4 x 10-4 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 6.0 x 10-3 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-4 mol/L | Dlo san tampon pH 5.93;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 371.35 | ||
| pKa | 7.87±0.43 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.70±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 217.3±7.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 6 | (1) ACD | |
| H Aseptè | 10 | (1) ACD | |
| H Donatè | 4 | (1) ACD | |
| H Sòm donatè/akseptè | 14 | (1) ACD | |
| logP | 0.868±0.577 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 371.35 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 143 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
| Kòd | Deklarasyon danje | Sous |
| H333 | Li ka danjere si yo respire | Ekspè Komisyonè |
| H303 | Ka danjere si vale | Ekspè Komisyonè |
| H302 | Danjre si vale | Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Klasifikasyon notifye ak etikèt - notifikasyon ki pi komen, Ajans chimik Ewopeyen an (ECHA) Klasifikasyon & Envantè etikèt - Notifye klasifikasyon ak etikèt - notifikasyon ki pi grav. |
Lis regilasyon: REACH, TCSI
Enfòmasyon Konfidansyèl Biznis: Piblik
| Sinonim regilasyon | ||
| Adenozin, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamid | REACH | - |
| N6-benzoiladenozin | REACH | - |
Detay pa Peyi/Entènasyonal & Lòt Lis Peyi/Rejyon Enfòmasyon ki Disponib
Rezime Inyon Ewopeyen an
Estati Envantè sou REACH Lis Sibstans Anrejistre yo
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Lis regilasyon Nimewo EC No .: 610-251-3
Taiwan Rezime
Estati Envantè sou TCSI Taiwan Government Ga
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