Home Products C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
C11H15N5O5 Guanosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
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PRODUCTS DETAILS
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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