C13H19N5O6 Guanosine, 2' -O-(2-methoxyethyl)- (9CI, ACI)
CAS Registry Number
473278-54-5
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 341.32 ib | - |
| Boiling Point (Predicted) | 715.0 ± 70.0 ° C | Xov: 760 Torr |
| Ceev (Predicted) | 1.81 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr |
| pKa (Predicted) | 13.20 ± 0.70 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeric SMILES
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 Key
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Lwm Lub Npe rau Cov Khoom no
2′ -O- (2-Methoxyethyl) guanosine (ACI)
Cov khoom muaj
Optical thiab Scattering
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Optical Rotatory zog | -51 deg-mL/g-dm | c: 1.4 g / 100ml; Cov kuab tshuaj: Dichloromethane; 589.3nm ;ua. Kub: 25 ° C | (1) CAS |
| Optical Rotatory zog | Saib Daim Ntawv Qhia Tag Nrho | (2) CAS |
(1) Wen, Ke; Phau ntawv Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke; Phau ntawv Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus
| Khoom | Tus nqi | Cov xwm txheej Source |
| Melting Point | Saib Daim Ntawv Qhia Tag Nrho | (1) CAS |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27(9), 1024-1033, CAplus
Spectra muaj
1 H NMR
13 C NMR
IR
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Qhov ntom
Lipinski
Cov qauv ntsig txog
Kub
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 1.0 | pH 1; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Bioconcentration Factor | 1.0 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Koc | 1.0 | pH 1; Kub: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 4.27 ib | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 8.49 ib | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 9.43 ib | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 9.54 ib | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 9.55 ib | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 9.55 ib | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 9.55 ib | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 9.54 ib | pH 10; Kub: 25 ° C | (1) ACD |
| logD | - 2.65 | pH 1; Kub: 25 ° C | (1) ACD |
| logD | -1.84 Nws | pH 2; Kub: 25 ° C | (1) ACD |
| logD | -1.08 Nws | pH 3; Kub: 25 ° C | (1) ACD |
| logD | -0.78 Nws | pH 4; Kub: 25 ° C | (1) ACD |
| logD | -0.74 Nws | pH 5; Kub: 25 ° C | (1) ACD |
| logD | -0.73 | pH 6; Kub: 25 ° C | (1) ACD |
| logD | -0.73 | pH 7; Kub: 25 ° C | (1) ACD |
| logD | -0.73 | pH 8; Kub: 25 ° C | (1) ACD |
| logD | -0.73 | pH 9; Kub: 25 ° C | (1) ACD |
| logD | -0.73 | pH 10; Kub: 25 ° C | (1) ACD |
| logP | -0.730 ± 0.568 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.44 g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 38 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 5.5 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Loj Solubility | 0.96 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.48 g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 0.44 g / L | Unbuffered Dej pH 7.20; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.3 x 10-3 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.11 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.016 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 2.8 x 10-3 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.4 x 10-3 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol / L | Unbuffered Dej pH 7.20; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 341.32 ib | ||
| pKa | 13.20 ± 0.70 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 3.00 ± 0.20 | Qhov kub thiab txias tshaj plaws: 25 ° C | (1) ACD |
| Vapor Siab | 1.86 x 10-21 Torr | Kub: 25 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Qhov ntom | 1.81 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 188.5 ± 7.0 cm3 / mol | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Dawb Rotatable Bonds | 8 | (1) ACD | |
| H Txais | 11 | (1) ACD | |
| H Pub | 5 | (1) ACD | |
| H Pub/Acceptor Sum | 16 | (1) ACD | |
| logP | -0.730 ± 0.568 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 341.32 ib |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Cov xwm txheej Source |
| Polar Surface Area | 153 A 2 | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Boiling Point | 715.0 ± 70.0 ° C | Xov: 760 Torr | (1) ACD |
| Enthalpy ntawm Vaporization | 109.72 ± 3.0 kJ/mol | Xov: 760 Torr | (1) ACD |
| Flash Point | 386.2 ± 35.7 ° C | (1) ACD |
(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra muaj
1 H NMR
13 C NMR
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