[(2R,3S,4E,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-(Fluoromethylidene)-3-Hydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
[CAS# 177956-38-6]

Identification

• Name: [(2R,3S,4E,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-4-(Fluoromethylidene)-3-Hydroxyoxolan-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Synonyms: [(2R,3S,4E,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-(Fluoromethylene)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4E,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-(Fluoromethylene)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,4E,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-(Fluoromethylene)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₀H₁₄FN₃O₁₀P₂
• Molecular Weight: 417.18
• CAS Registry Number: 177956-38-6
• SMILES: [C@H]\1(O[C@@H]([C@@H](O)C1=C\F)CO[P](O[P](=O)(O)O)(=O)O)N2C(=O)N=C(N)C=C2
• InChI: 1S/C10H14FN3O10P2/c11-3-5-8(15)6(4-22-26(20,21)24-25(17,18)19)23-9(5)14-2-1-7(12)13-10(14)16/h1-3,6,8-9,15H,4H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/b5-3+/t6-,8+,9-/m1/s1
• InChIKey: VUPKAWMDMNMTNL-ASKVSEFXSA-N

Properties

• Density: 2.161g/cm³ (Cal.)
• Boiling point: 746.059°C at 760 mmHg (Cal.)
• Flash point: 405.002°C (Cal.)