[(2R,3R,4S,5R)-5-(4-Amino-5-Methyl-2-Oxopyrimidin-1-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 79570-62-0]

Identification

• Name: [(2R,3R,4S,5R)-5-(4-Amino-5-Methyl-2-Oxopyrimidin-1-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3R,4S,5R)-5-(4-Amino-5-Methyl-2-Oxo-Pyrimidin-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3R,4S,5R)-5-(4-Amino-5-Methyl-2-Oxo-1-Pyrimidinyl)-4-Fluoro-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,4S,5R)-5-(4-Amino-2-Keto-5-Methyl-Pyrimidin-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₇FN₃O₁₃P₃
• Molecular Weight: 499.18
• CAS Registry Number: 79570-62-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1F)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C(=C2)C
• InChI: 1S/C10H17FN3O13P3/c1-4-2-14(10(16)13-8(4)12)9-6(11)7(15)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,15H,3H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1
• InChIKey: ZGJOFWKMPGJMDN-JVZYCSMKSA-N

Properties

• Density: 2.337g/cm³ (Cal.)
• Boiling point: 803.665°C at 760 mmHg (Cal.)
• Flash point: 439.841°C (Cal.)