C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
CAS Registry Number
2140-71-8
| Key Physical Properties | Value | Condition |
| Molecular Weight | 297.27 | - |
| Melting Point (Experimental) | 233-235 °C | Solvent: Methanol |
| Density (Predicted) | 1.98±0.1 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Predicted) | 9.64±0.20 | Most Acidic Temp: 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 Other Name for this Substance
2′ -O-Methylguanosine (ACI)
Properties available
Chemical
Thermal
| Property | Value Condition | Source |
| pKa | 9.5 | (1) CAS |
(1) Bhamra, Inder; Nucleic Acids Research,
| Property | Value | Condition | Source |
| Melting Point | 233-235 °C | Solvent: Methanol | (1) CAS |
(1) Kore, Anilkumar R.; Nucleosides, Nucleotides & Nucleic Acids,
Spectra available
1 H NMR
13 C NMR
Mass
Properties available
Biological
Chemical
Density
Lipinski
Structure Related
| Property | Value | Condition | Source |
| Bioconcentration Factor | 1.0 | pH 1; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Temp: 25 °C | (1) ACD |
| Property | Value | Condition | Source |
| Bioconcentration Factor | 1.0 | pH 7; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Temp: 25 °C | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition | Source |
| Koc | 1.0 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 1.19 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 3.42 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 4.23 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 4.33 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 4.34 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 4.33 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 4.24 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 3.48 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 1.28 | pH 10; Temp: 25 °C | (1) ACD |
| logD | -2.76 | pH 1; Temp: 25 °C | (1) ACD |
| logD | -1.92 | pH 2; Temp: 25 °C | (1) ACD |
| logD | -1.46 | pH 3; Temp: 25 °C | (1) ACD |
| logD | -1.37 | pH 4; Temp: 25 °C | (1) ACD |
| logD | -1.36 | pH 5; Temp: 25 °C | (1) ACD |
| logD | -1.36 | pH 6; Temp: 25 °C | (1) ACD |
| logD | -1.36 | pH 7; Temp: 25 °C | (1) ACD |
| logD | -1.37 | pH 8; Temp: 25 °C | (1) ACD |
| logD | -1.45 | pH 9; Temp: 25 °C | (1) ACD |
| logD | -1.89 | pH 10; Temp: 25 °C | (1) ACD |
| logP | -1.359±0.544 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1.1 g/L | Temp: 25 °C | (1) ACD |
| Mass Solubility | 27 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Mass Solubility | 3.9 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.1 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Property | Value | Condition | Source |
| Mass Solubility | 1.1 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.1 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.1 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.1 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.3 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Mass Solubility | 3.6 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Mass Solubility | 1.1 g/L | Unbuffered Water pH 6.17; Temp: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 3.6 x 10-3 mol/L | Temp: 25 °C | (1) ACD |
| Molar Solubility | 0.091 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molar Solubility | 4.6 x 10-3 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-3 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-3 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molar Solubility | 4.5 x 10-3 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molar Solubility | 0.012 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-3 mol/L | Unbuffered Water pH 6.17; Temp: 25 °C | (1) ACD |
| Molecular Weight | 297.27 | ||
| pKa | 9.64±0.20 | Most Acidic Temp: 25 °C | (1) ACD |
| pKa | 2.42±0.10 | Most Basic Temp: 25 °C | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition | Source |
| Density | 1.98±0.1 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Molar Volume | 149.8±7.0 cm3/mol | Temp: 20 °C; Press: 760 Torr | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition Source |
| Freely Rotatable Bonds | 5 | (1) ACD |
| Property | Value | Condition | Source |
| H Acceptors | 10 | (1) ACD | |
| H Donors | 5 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| logP | -1.359±0.544 | Temp: 25 °C | (1) ACD |
| Molecular Weight | 297.27 |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition Source |
| Polar Surface Area | 144 A2 | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra available
1 H NMR
13 C NMR
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