O(6)-Methyldeoxyguanylic Acid
[CAS# 63642-13-7]

Identification

• Name: O(6)-Methyldeoxyguanylic Acid
• Synonyms: [(2R,3S,5R)-5-(2-Amino-6-Methoxy-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Methoxy-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Methoxy-Purin-9-Yl)-3-Hydroxy-Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₁H₁₆N₅O₇P
• Molecular Weight: 361.25
• CAS Registry Number: 63642-13-7
• SMILES: [C@@H]1(C[C@@H](O[C@@H]1CO[P](=O)(O)O)[N]3C2=C(C(=NC(=N2)N)OC)N=C3)O
• InChI: 1S/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
• InChIKey: GFRAHVJOXXMIDI-RRKCRQDMSA-N

Properties

• Density: 2.075g/cm³ (Cal.)
• Boiling point: 794.828°C at 760 mmHg (Cal.)
• Flash point: 434.496°C (Cal.)