[(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Oxopyrimidin-1-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 79570-63-1]

Identification

• Name: [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Oxopyrimidin-1-Yl)-4-Fluoro-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-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-Iodo-2-Oxo-1-Pyrimidinyl)-4-Fluoro-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3R,4S,5R)-5-(4-Amino-5-Iodo-2-Keto-Pyrimidin-1-Yl)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₄FIN₃O₁₃P₃
• Molecular Weight: 611.05
• CAS Registry Number: 79570-63-1
• 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)I
• InChI: 1S/C9H14FIN3O13P3/c10-5-6(15)4(25-8(5)14-1-3(11)7(12)13-9(14)16)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,15H,2H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8-/m1/s1
• InChIKey: AZPQHUNTMPUUHB-BYPJNBLXSA-N

Properties

• Density: 2.829g/cm³ (Cal.)
• Boiling point: 824.467°C at 760 mmHg (Cal.)
• Flash point: 452.422°C (Cal.)