C11H15N5O5 Guanosine, 2' -O-methyl- (7CI, 8CI, 9CI, ACI)
CAS Registry Number
2140-71-8 ib
| Cov khoom tseem ceeb ntawm lub cev | Tus nqi | Qhov xwm txheej |
| Molecular Luj | 297.27 ib | - |
| Melting Point (Kev sim) | 233-235 ° C | Cov kuab tshuaj: Methanol |
| Ceev (Predicted) | 1.98 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr |
| pKa (Predicted) | 9.64 ± 0.20 | Feem ntau acidic kub: 25 ° C |
Canonical SMILES
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomeric SMILES
O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](CO)[C@H ]1O
InChI
InChI = 1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9( 5) 19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1
InChI Key
OVYNGSFVYRPRCG-KQYNXXCUSA-N
1 Lwm Lub Npe rau Cov Khoom no
2′ -O- Methylguanosine (ACI)
Cov khoom muaj
Tshuaj
Kub
| Khoom | Tus nqi xwm txheej | Qhov chaw |
| pKa | 9.5 ib | (1) CAS |
(1) Bhamra, Inder; Kev tshawb nrhiav Nucleic Acids,
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Melting Point | 233-235 ° C | Cov kuab tshuaj: Methanol | (1) CAS |
(1) Kore, Anilkumar R.; Nucleosides, Nucleotides & Nucleic Acids,
Spectra muaj
1 H NMR
13 C NMR
Pawg
Cov khoom muaj
Tshuaj lom neeg
Tshuaj
Qhov ntom
Lipinski
Cov qauv ntsig txog
| 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 |
| Bioconcentration Factor | 1.0 | pH 5; Kub: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| 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 | 1.19 | pH 2; Kub: 25 ° C | (1) ACD |
| Koc | 3.42 ib | pH 3; Kub: 25 ° C | (1) ACD |
| Koc | 4.23 | pH 4; Kub: 25 ° C | (1) ACD |
| Koc | 4.33 ib | pH 5; Kub: 25 ° C | (1) ACD |
| Koc | 4.34 ib | pH 6; Kub: 25 ° C | (1) ACD |
| Koc | 4.33 ib | pH 7; Kub: 25 ° C | (1) ACD |
| Koc | 4.24 ib | pH 8; Kub: 25 ° C | (1) ACD |
| Koc | 3.48 ib | pH 9; Kub: 25 ° C | (1) ACD |
| Koc | 1.28 | pH 10; Kub: 25 ° C | (1) ACD |
| logD | - 2.76 | pH 1; Kub: 25 ° C | (1) ACD |
| logD | -1.92 | pH 2; Kub: 25 ° C | (1) ACD |
| logD | -1.46 | pH 3; Kub: 25 ° C | (1) ACD |
| logD | -1.37 | pH 4; Kub: 25 ° C | (1) ACD |
| logD | -1.36 | pH 5; Kub: 25 ° C | (1) ACD |
| logD | -1.36 | pH 6; Kub: 25 ° C | (1) ACD |
| logD | -1.36 | pH 7; Kub: 25 ° C | (1) ACD |
| logD | -1.37 | pH 8; Kub: 25 ° C | (1) ACD |
| logD | -1.45 Nws | pH 9; Kub: 25 ° C | (1) ACD |
| logD | -1.89 Nws | pH 10; Kub: 25 ° C | (1) ACD |
| logP | -1.359 ± 0.544 | Kub: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.1g / L | Kub: 25 ° C | (1) ACD |
| Loj Solubility | 27 g / L | pH 1; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.9 g / L | pH 2; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.4 g / L | pH 3; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1g / L | pH 4; Kub: 25 ° C | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| Loj Solubility | 1.1g / L | pH 5; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1g / L | pH 6; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1g / L | pH 7; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1g / L | pH 8; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.3g / L | pH 9; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 3.6 g / L | pH 10; Kub: 25 ° C | (1) ACD |
| Loj Solubility | 1.1g / L | Unbuffered Dej pH 6.17; Kub: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 3.6 x 10-3 mol / L | Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.091 mol / L | pH 1; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 mol / L | pH 2; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.6 x 10-3 mol / L | pH 3; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol / L | pH 4; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol / L | pH 5; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.6 x 10-3 mol / L | pH 6; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol / L | pH 7; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol / L | pH 8; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 4.5 x 10-3 mol / L | pH 9; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 0.012 mol / L | pH 10; Kub: 25 ° C | (1) ACD |
| Molar Solubility | 3.6 x 10-3 mol / L | Unbuffered Dej pH 6.17; Kub: 25 ° C | (1) ACD |
| Molecular Luj | 297.27 ib | ||
| pKa | 9.64 ± 0.20 | Feem ntau acidic kub: 25 ° C | (1) ACD |
| pKa | 2.42 ± 0.10 | Qhov kub thiab txias tshaj plaws: 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 | 1.98 ± 0.1g / cm3 | Kub: 20 ° C; Xov: 760 Torr | (1) ACD |
| Molar Volume | 149.8 ± 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 | Cov xwm txheej Source |
| Dawb Rotatable Bonds | 5 | (1) ACD |
| Khoom | Tus nqi | Qhov xwm txheej | Qhov chaw |
| H Txais | 10 | (1) ACD | |
| H Pub | 5 | (1) ACD | |
| H Pub/Acceptor Sum | 15 | (1) ACD | |
| logP | -1.359 ± 0.544 | Kub: 25 ° C | (1) ACD |
| Molecular Luj | 297.27 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 | 144 A 2 | (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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