C11H15N5O4 Adenozin, 2′-O-metil- (7CI, 8CI, 9CI, ACI)
Nimewo Rejis CAS la
2140-79-6
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 281.27 | - |
| Pwen Fizyon (Eksperimantal) | 204-206 °C | - |
| Pwen Ebulisyon (Prevwa) | 623.8±65.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.84±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 13.13±0.70 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik
OCC1OC(N2C=NC=3C(=NC=NC32)N)C(OC)C1O
SOURI izomerik
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI = 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
Kle InChI
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Lòt Non pou Sibstans sa a
2′ -O-Metiladenozin (ACI); Kòdizin B
Pwopriyete ki disponib
Tèmik
| Pwopriyete | Valè | Sous Kondisyon |
| Pwen fizyon | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; Jounal Ewopeyen pou Chimi Òganik, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus
Espèk disponib
1H RMN
13C RMN
IR
Mès
Pwopriyete ki disponib
Byolojik
Chimik
Dansite
Lipinski
Estrikti ki gen rapò
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.78 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.97 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.99 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.99 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.99 | pH 9; Tanperati: 25 °C | (1) ACD |
| Sous Kondisyon Valè Pwopriyete a |
| Faktè byokonsantrasyon 1.99 pH 10; Tanperati: 25 °C (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 4.54 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 0.697±0.596 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 3.7 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 886 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 309 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 45 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 7.9 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.9 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Mas | 3.7 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 g/L | Dlo san tampon pH 8.07; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 0.013 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 3.15 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.10 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.16 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.028 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.014 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.013 mol/L | Dlo san tampon pH 8.07; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 281.27 | ||
| pKa | 13.13±0.70 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 2.02 x 10-16 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.84±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 152.5±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)
| Pwopriyete | Valè | Sous Kondisyon |
| Obligasyon ki ka vire lib | 5 | (1) ACD |
| Akseptè H | 9 | (1) ACD |
| Donatè H | 4 | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Sòm Donè/Akseptè H | 13 | (1) ACD | |
| logP | 0.697±0.596 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 281.27 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Sifas polè | 129 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen ebulisyon | 623.8±65.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 97.11±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 331.0±34.3 °C | (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 |
| H303 | Ka danjere si vale | Ekspè ki òganize |
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