[(2S,4R,5R)-4-Hydroxy-5-(5-Oxo-1H-Triazolo[4,5-d]Pyrimidin-6-Yl)Oxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 79821-52-6]

Identification

• Name: [(2S,4R,5R)-4-Hydroxy-5-(5-Oxo-1H-Triazolo[4,5-d]Pyrimidin-6-Yl)Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2S,4R,5R)-4-Hydroxy-5-(5-Oxo-1H-Triazolo[4,5-D]Pyrimidin-6-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2S,4R,5R)-4-Hydroxy-5-(5-Oxo-1H-Triazolo[4,5-D]Pyrimidin-6-Yl)-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2S,4R,5R)-4-Hydroxy-5-(5-Keto-1H-Triazolo[4,5-D]Pyrimidin-6-Yl)Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₉H₁₂N₅O₇P
• Molecular Weight: 333.20
• CAS Registry Number: 79821-52-6
• SMILES: [C@H]1(O[C@@H](C[C@H]1O)CO[P](=O)(O)O)N3C(=O)N=C2N=NNC2=C3
• InChI: 1S/C9H12N5O7P/c15-6-1-4(3-20-22(17,18)19)21-8(6)14-2-5-7(10-9(14)16)12-13-11-5/h2,4,6,8,15H,1,3H2,(H2,17,18,19)(H,10,11,12,16)/t4-,6+,8+/m0/s1
• InChIKey: ASHLYQVDSXTRHD-CVTKMRTPSA-N

Properties

• Density: 2.355g/cm³ (Cal.)
• Boiling point: 641.644°C at 760 mmHg (Cal.)
• Flash point: 341.854°C (Cal.)