3-Deazaguanylic Acid
[CAS# 56039-13-5]

Identification

• Name: 3-Deazaguanylic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-4-Oxo-5H-Imidazo[4,5-C]Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-4-Oxo-5H-Imidazo[4,5-C]Pyridin-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-4-Keto-5H-Imidazo[4,5-C]Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₁H₁₅N₄O₈P
• Molecular Weight: 362.24
• CAS Registry Number: 56039-13-5
• SMILES: [C@H]3([N]2C1=C(C(NC(=C1)N)=O)N=C2)[C@H](O)[C@H](O)[C@H](O3)CO[P](=O)(O)O
• InChI: 1S/C11H15N4O8P/c12-6-1-4-7(10(18)14-6)13-3-15(4)11-9(17)8(16)5(23-11)2-22-24(19,20)21/h1,3,5,8-9,11,16-17H,2H2,(H3,12,14,18)(H2,19,20,21)/t5-,8-,9-,11-/m1/s1
• InChIKey: SMOXFGDCBYPWTB-MGUDNFKCSA-N

Properties

• Density: 2.288g/cm³ (Cal.)