[(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
[CAS# 135052-69-6]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid; [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-(2-Methyl-1-Imidazolyl)Phosphinic Acid; [(2R,3S,4R,5R)-5-(6-Amino-2-Keto-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(2-Methylimidazol-1-Yl)Phosphinic Acid
• Molecular Formula: C₁₄H₁₈N₇O₇P
• Molecular Weight: 427.31
• CAS Registry Number: 135052-69-6
• SMILES: [C@H]1(O)[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)[N]2C(=NC=C2)C)N4C3=C([NH]C=N3)C(=NC4=O)N
• InChI: 1S/C14H18N7O7P/c1-6-16-2-3-20(6)29(25,26)27-4-7-9(22)10(23)13(28-7)21-12-8(17-5-18-12)11(15)19-14(21)24/h2-3,5,7,9-10,13,22-23H,4H2,1H3,(H,17,18)(H,25,26)(H2,15,19,24)/t7-,9-,10-,13-/m1/s1
• InChIKey: OPVCWFNAFZYWTJ-QYVSTXNMSA-N

Properties

• Density: 2.137g/cm³ (Cal.)
• Boiling point: 891.799°C at 760 mmHg (Cal.)
• Flash point: 493.143°C (Cal.)