C13H19N5O5 Adenozin, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Nimewo Rejis CAS
168427-74-5
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 325.32 | - |
| Pwen bouyi (Prevwa) | 639.0±65.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.70±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 13.12±0.70 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
OCC1OC(N2C=NC=3C(=NC=NC32)N)C(OCCOC)C1O
Souri izomerik
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
InChI kle
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Lòt Non pou sibstans sa a
2′ -O-(2-Methoxyethyl)adenozin (ACI)
Spectre ki disponib
1H RMN
13C RMN
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 | 1.18 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.31 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.32 | pH 7;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.32 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.32 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.32 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (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 | 3.39 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 42.5 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | -1,94 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | -1.48 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | -0.64 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | 0.12 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | 0.41 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | 0.46 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | 0.46 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | 0.46 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | 0.46 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | 0.46 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 4.2 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 999 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 381 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 55 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 9.4 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.9 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.2 g/L | Dlo san tampon pH 8.08;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 0.013 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.07 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.17 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.17 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.029 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.015 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 0.013 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.013 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.013 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.013 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.013 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.013 mol/L | Dlo san tampon pH 8.08;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 325.32 | ||
| pKa | 13.12±0.70 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 3.35 x 10-17 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.70±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 191.2±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)
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 8 | (1) ACD | |
| H Aseptè | 10 | (1) ACD | |
| H Donatè | 4 | (1) ACD | |
| H Sòm donatè/akseptè | 14 | (1) ACD | |
| logP | 0.462±0.647 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 325.32 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 138 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 639.0±65.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 99.17±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 340.2±34.3 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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