C13H19N5O5 Adenosine, 2 ′ -O- (2-Methoxyethyl)-(9CI, ACI)
Nimewo rejis CAS
168427-74-5
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 325.32 | - |
| Pwen bouyi (prevwa) | 639.0 ± 65.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.70 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 13.12 ± 0.70 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
Occ1oc (n2c = nc = 3c (= nc = nc32) n) c (oksok) C1O
Souri izomèr
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) adenosine (ACI)
Spèktr ki disponib
1 H NMR
13 C NMR
Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.18 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.31 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.32 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.32 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.32 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.32 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 3.39 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 19.4 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 38.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 42.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 42.5 | pH 7; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 42.5 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 42.5 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 42.5 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -1.94 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -1.48 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -0.64 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 0.12 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 0.41 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 0.46 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 0.46 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 0.46 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 0.46 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 0.46 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 0.462 ± 0.647 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 4.2 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 999 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 381 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 55 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.4 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.9 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.2 g/l | PH dlo unbuffered 8.08; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 0.013 mol/L | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.07 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.17 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.17 mol/L | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.029 mol/L | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.015 mol/L | pH 5; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 0.013 mol/L | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.013 mol/L | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.013 mol/L | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.013 mol/L | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.013 mol/L | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.013 mol/L | PH dlo unbuffered 8.08; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 325.32 | ||
| pka | 13.12 ± 0.70 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.82 ± 0.10 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 3.35 x 10-17 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.70 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 191.2 ± 7.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 8 | (1) ACD | |
| H akseptab | 10 | (1) ACD | |
| H donatè | 4 | (1) ACD | |
| H donatè/aksepte sòm | 14 | (1) ACD | |
| logp | 0.462 ± 0.647 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 325.32 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Sous kondisyon |
| Zòn sifas polè | 138 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Pwen bouyi | 639.0 ± 65.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 99.17 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 340.2 ± 34.3 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
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