[(2R,3R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4,4-Difluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 110988-86-8]

Identification

• Name: [(2R,3R,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4,4-Difluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4,4-Difluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4,4-Difluoro-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4,4-Difluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₄F₂N₃O₁₃P₃
• Molecular Weight: 503.14
• CAS Registry Number: 110988-86-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1(F)F)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
• InChIKey: YMOXEIOKAJSRQX-QPPQHZFASA-N

Properties

• Density: 2.435g/cm³ (Cal.)
• Boiling point: 797.669°C at 760 mmHg (Cal.)
• Flash point: 436.214°C (Cal.)