[(2R,3S,5R)-5-(4-Amino-5-Iodo-2-Oxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 31747-59-8]

Identification

• Name: [(2R,3S,5R)-5-(4-Amino-5-Iodo-2-Oxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(4-Amino-5-Iodo-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-5-Iodo-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-(4-Amino-5-Iodo-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₅IN₃O₁₃P₃
• Molecular Weight: 593.06
• CAS Registry Number: 31747-59-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)N=C(N)C(=C2)I
• InChI: 1S/C9H15IN3O13P3/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,14H,1,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
• InChIKey: OOMLBPVHGFQCCL-RRKCRQDMSA-N

Properties

• Density: 2.783g/cm³ (Cal.)
• Boiling point: 822.937°C at 760 mmHg (Cal.)
• Flash point: 451.496°C (Cal.)