C13H19N5O6 Guanosine, 2 ′ -O- (2-Methoxyethyl)-(9CI, ACI)
Nimewo rejis CAS
473278-54-5
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 341.32 | - |
| Pwen bouyi (prevwa) | 715.0 ± 70.0 ° C | Peze: 760 Torr |
| Dansite (prevwa) | 1.81 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 13.20 ± 0.70 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Souri izomèr
O (CCOC) [C@H] 1 [C @@ H] (O [C@H] (CO) [C@H] 1O) N2C3 = C (N = C2) C (= O) N = C (N) N3
Inchi
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Inchi kle
Dllbjslikokfhe-woUkdfqisa-n
1 lòt non pou sibstans sa a
2 ′ -O-(2-methoxyethyl) guanosine (ACI)
Pwopriyete ki disponib
Optik ak simaye
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Optik pouvwa wotasyon | -51 DEG-ML/G-DM | C: 1.4 g/100ml; Sòlvan: dichloromethane; λ: 589.3 nm; Tan: 25 ° C | (1) Cas |
| Optik pouvwa wotasyon | Gade tèks konplè | (2) Cas |
(1) Wen, ke; Journal of Organic Chimi, (2002), 67 (22), 7887-7889, Caplus
(2) Wen, ke; Journal of Organic Chimi, (2002), 67 (22), 7887-7889, Caplus
| Posesyon | Valè | Sous kondisyon |
| Pwen k ap fonn | Gade tèks konplè | (1) Cas |
(1) Taj, Shabbir Ali S; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, Caplus
Spèktr ki disponib
1 H NMR
13 C NMR
IR
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 |
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | 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 | 4.27 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 8.49 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 9.43 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 9.54 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 9.55 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 9.55 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 9.55 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 9.54 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -2.65 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -1.84 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -1.08 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.78 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.74 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.73 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.73 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.73 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.73 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -0.73 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.730 ± 0.568 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 0.44 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 38 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.5 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Mas solubility | 0.96 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.48 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.44 g/l | PH dlo unbuffered 7.20; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.3 x 10-3 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.11 mol/L | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.016 mol/L | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.8 x 10-3 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-3 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.3 x 10-3 mol/l | PH dlo unbuffered 7.20; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 341.32 | ||
| pka | 13.20 ± 0.70 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.00 ± 0.20 | Pifò debaz tanperati: 25 ° C | (1) ACD |
| Presyon vapè | 1.86 x 10-21 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 | 1.81 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 188.5 ± 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 | 11 | (1) ACD | |
| H donatè | 5 | (1) ACD | |
| H donatè/aksepte sòm | 16 | (1) ACD | |
| logp | -0.730 ± 0.568 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 341.32 |
(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 | 153 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 | 715.0 ± 70.0 ° C | Peze: 760 Torr | (1) ACD |
| Enthalpy nan vaporizasyon | 109.72 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
| Pwen flash | 386.2 ± 35.7 ° 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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