[(2R,3S,5R)-3-Hydroxy-5-(4-Methylamino-2-Oxopyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 149674-24-8]

Identification

• Name: [(2R,3S,5R)-3-Hydroxy-5-(4-Methylamino-2-Oxopyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(4-Methylamino-2-Oxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(4-Methylamino-2-Oxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(2-Keto-4-Methylamino-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₈N₃O₁₃P₃
• Molecular Weight: 481.19
• CAS Registry Number: 149674-24-8
• SMILES: [C@@H]1(O[C@H](C[C@@H]1O)N2C=CC(=NC2=O)NC)CO[P](O[P](O)(=O)O[P](O)(=O)O)(O)=O
• InChI: 1S/C10H18N3O13P3/c1-11-8-2-3-13(10(15)12-8)9-4-6(14)7(24-9)5-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,19,20)(H,21,22)(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
• InChIKey: IKQDPOQDKMLSOK-LKEWCRSYSA-N

Properties

• Density: 2.201g/cm³ (Cal.)
• Boiling point: 774.036°C at 760 mmHg (Cal.)
• Flash point: 421.922°C (Cal.)