[(2R,3S,4R,5R)-5-(2,6-Dioxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
[CAS# 135078-46-5]

Identification

• Name: [(2R,3S,4R,5R)-5-(2,6-Dioxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(2,6-Dioxo-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid; [(2R,3S,4R,5R)-5-(2,6-Dioxo-7H-Purin-3-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-(2-Methyl-1-Imidazolyl)Phosphinic Acid; [(2R,3S,4R,5R)-5-(2,6-Diketo-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
• Molecular Formula: C₁₄H₁₇N₆O₈P
• Molecular Weight: 428.30
• CAS Registry Number: 135078-46-5
• SMILES: [C@H]3(N2C1=C([NH]C=N1)C(NC2=O)=O)[C@H](O)[C@H](O)[C@H](O3)CO[P](=O)([N]4C(=NC=C4)C)O
• InChI: 1S/C14H17N6O8P/c1-6-15-2-3-19(6)29(25,26)27-4-7-9(21)10(22)13(28-7)20-11-8(16-5-17-11)12(23)18-14(20)24/h2-3,5,7,9-10,13,21-22H,4H2,1H3,(H,16,17)(H,25,26)(H,18,23,24)/t7-,9-,10-,13-/m1/s1
• InChIKey: QLJHDBUEOAQPFI-QYVSTXNMSA-N

Properties

• Density: 2.137g/cm³ (Cal.)