C13H19N5O6 Guanozin, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Nimewo Rejis CAS
473278-54-5
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 341.32 | - |
| Pwen bouyi (Prevwa) | 715.0±70.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.81±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 13.20±0.70 | Tanperati ki pi asid: 25 °C |
SORI Kanonik
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Souri izomerik
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
DLBJSLIKOKFHE-WOUKDFQISA-N
1 Lòt Non pou sibstans sa a
2′ -O-(2-Methoxyethyl)guanozin (ACI)
Pwopriyete ki disponib
Optik ak gaye
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Optik Rotatory pouvwa | -51 degre-mL/g-dm | c: 1.4 g/100ml; Solvan: Dichlorometan; λ: 589.3 nm; Tanperati: 25 °C | (1) CAS |
| Optik Rotatory pouvwa | Gade Tèks konplè | (2) CAS |
(1) Wen, Ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, CAplus
(2) Wen, Ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, CAplus
| Pwopriyete | Valè | Sous Kondisyon |
| Pwen k ap fonn | Gade Tèks konplè | (1) CAS |
(1) Taj, Shabbir Ali S.; Nukleozid, Nukleotid & Asid Nukleik, (2008), 27 (9), 1024-1033, CAplus
Spectre ki disponib
1H RMN
13C RMN
IR
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 |
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | 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 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 | 4.27 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 8.49 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 9.43 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 9.54 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 9.55 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 9.55 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 9.55 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 9.54 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | -2.65 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | -1,84 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | -1.08 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | -0.78 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | -0.74 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | -0.73 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | -0.73 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | -0.73 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | -0.73 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | -0.73 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | -0.730±0.568 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 0.44 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 38 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.5 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite mas | 0.96 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.48 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.44 g/L | Dlo san tampon pH 7.20; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 1.3 x 10-3 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.11 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.016 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.8 x 10-3 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-3 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.3 x 10-3 mol/L | Dlo san tampon pH 7.20; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 341.32 | ||
| pKa | 13.20±0.70 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 1.86 x 10-21 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 | 1.81±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 188.5±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 | 11 | (1) ACD | |
| H Donatè | 5 | (1) ACD | |
| H Sòm donatè/akseptè | 16 | (1) ACD | |
| logP | -0.730±0.568 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 341.32 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Zòn Sifas Polè | 153 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 715.0±70.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 109.72±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 386.2±35.7 °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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