C13H19N5O6 Gwanozin, 2′-O-(2-metoksietil)- (9CI, ACI)
Nimewo Rejis CAS la
473278-54-5
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 341.32 | - |
| Pwen Ebulisyon (Prevwa) | 715.0±70.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.81±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 13.20±0.70 | Tanperati ki pi asid: 25 °C |
SOURI 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
Kle InChI
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Lòt Non pou Sibstans sa a
2′ -O-(2-Metoksietil)gwanozin (ACI)
Pwopriyete ki disponib
Optik ak dispèsyon
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pouvwa Rotatwa Optik | -51 deg-mL/g-dm | c: 1.4 g/100ml; Solvan: Diklorometàn; λ: 589.3 nm; Tanperati: 25 °C | (1) CAS |
| Pouvwa Rotatwa Optik | Gade tèks konplè a | (2) CAS |
(1) Wen, Ke; Jounal Chimi Òganik, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke; Jounal Chimi Òganik, (2002), 67(22), 7887-7889, CAplus
| Pwopriyete | Valè | Sous Kondisyon |
| Pwen fizyon | Gade tèks konplè a | (1) CAS |
(1) Taj, Shabbir Ali S.; Nukleozid, Nukleotid ak Asid Nikleyik, (2008), 27(9), 1024-1033, CAplus
Espèk 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 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 | 4.27 | 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 |
| Soliblite intrinsèque nan mas | 0.44 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 38 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.5 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Mas | 0.96 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.48 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.44 g/L | Dlo san tampon pH 7.20; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.3 x 10-3 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.11 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.016 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.8 x 10-3 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.4 x 10-3 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-3 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite 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 debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 1.86 x 10-21 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 | 1.81±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 188.5±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 | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 8 | (1) ACD | |
| Akseptè H | 11 | (1) ACD | |
| Donatè H | 5 | (1) ACD | |
| Sòm Donè/Akseptè H | 16 | (1) ACD | |
| logP | -0.730±0.568 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 341.32 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Sous Kondisyon |
| Sifas polè | 153 A2 | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen ebulisyon | 715.0±70.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 109.72±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 386.2±35.7 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
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