[(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
[CAS# 135052-71-0]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Oxo-7H-Purin-3-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-2-Keto-7H-Purin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₅N₅O₁₁P₂
• Molecular Weight: 443.20
• CAS Registry Number: 135052-71-0
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1N3C2=C([NH]C=N2)C(=NC3=O)N)CO[P](O[P](O)(O)=O)(O)=O
• InChI: 1S/C10H15N5O11P2/c11-7-4-8(13-2-12-4)15(10(18)14-7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,12,13)(H,22,23)(H2,11,14,18)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
• InChIKey: DWMSKIWTKARTMX-UUOKFMHZSA-N

Properties

• Density: 2.633g/cm³ (Cal.)
• Boiling point: 968.142°C at 760 mmHg (Cal.)
• Flash point: 539.313°C (Cal.)