[(2R,3S,4R,5R)-5-(5-Amino-7-Oxo-2H-Triazolo[5,4-d]Pyrimidin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 1165-66-8]

Identification

• Name: [(2R,3S,4R,5R)-5-(5-Amino-7-Oxo-2H-Triazolo[5,4-d]Pyrimidin-3-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(5-Amino-7-Oxo-2H-Triazolo[5,4-D]Pyrimidin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Amino-7-Oxo-2H-Triazolo[5,4-D]Pyrimidin-3-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5-Amino-7-Keto-2H-Triazolo[5,4-D]Pyrimidin-3-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₉H₁₃N₆O₈P
• Molecular Weight: 364.21
• CAS Registry Number: 1165-66-8
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1N2NN=C3C2=NC(=NC3=O)N)CO[P](O)(O)=O
• InChI: 1S/C9H13N6O8P/c10-9-11-6-3(7(18)12-9)13-14-15(6)8-5(17)4(16)2(23-8)1-22-24(19,20)21/h2,4-5,8,14,16-17H,1H2,(H2,10,12,18)(H2,19,20,21)/t2-,4-,5-,8-/m1/s1
• InChIKey: OJUHSJJHRFFVGB-UMMCILCDSA-N

Properties

• Density: 2.687g/cm³ (Cal.)
• Boiling point: 695.002°C at 760 mmHg (Cal.)
• Flash point: 374.124°C (Cal.)