C17H17N5O5 Adenozin, N-benzoil- (7CI, 9CI, ACI) H333, H303, H302
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 371.35 | - |
| Pwen Fizyon (Eksperimantal) | 152 °C | - |
| Dansite (Prevwa) | 1.70±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 7.87±0.43 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
SMILES izomerik 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
NanChI=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
Kle InChI
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Lòt Non pou Sibstans sa a
Benzmid, N-(9-β-D-ribofuranosil-9H-purin-6-il)- (8CI); N-Benzoyladenozin (ACI); N6-Benzoyladenozin
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen fizyon | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya; Pwosedi - Akademi Syans Endyen an, Syans Chimik, (1989), 101(5), 401-13, CAplus
Espèk 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 Advanced Chemistry Development (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 |
| Soliblite intrinsèque nan mas | 0.037 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.22 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.056 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.041 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.041 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.037 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.041 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.045 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.089 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.48 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 2.2 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Mas | 0.041 g/L | Dlo san tampon pH 5.93; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.0 x 10-4 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 5.8 x 10-4 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.5 x 10-4 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.1 x 10-4 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.1 x 10-4 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.0 x 10-4 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.1 x 10-4 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.2 x 10-4 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.4 x 10-4 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.0 x 10-3 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite 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 debaz ki pi wo a: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.70±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 217.3±7.0 cm3/mol | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 6 | (1) ACD | |
| Akseptè H | 10 | (1) ACD | |
| Donatè H | 4 | (1) ACD | |
| Sòm Donè/Akseptè H | 14 | (1) ACD | |
| logP | 0.868±0.577 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 371.35 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Sifas polè | 143 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
| Kòd | Deklarasyon Danje | Sous |
| H333 | Ka danjere si yo respire | Ekspè ki òganize |
| H303 | Ka danjere si vale | Ekspè ki òganize |
| H302 | Danjere si vale | Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi komen yo, Envantè Klasifikasyon ak Etikèt Ajans Chimik Ewopeyen an (ECHA) - Klasifikasyon ak etikètaj notifye - notifikasyon ki pi serye yo |
Lis Règlemantè: REACH, TCSI
Enfòmasyon Biznis Konfidansyèl: Piblik
| Sinonim regilasyon | ||
| Adenozin, N-benzoil- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-diidroksi-5-(idroksimetil)oksolan-2-il]-9H-purin-6-il}benzamid | REACH | - |
| N6-Benzoyladenosine | REACH | - |
Detay pa peyi/entènasyonal ak lòt lis Enfòmasyon sou peyi/rejyon disponib
Rezime Inyon Ewopeyen an
Sitiyasyon Envantè sou Lis Sibstans Anrejistre REACH la
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Nimewo Lis Règlemantè a EC No.: 610-251-3
Rezime Taiwan
Estati Envantè sou TCSI Taiwan Government Ga
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