[(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 3731-55-3]

Identification

• Name: [(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Dioxopyrimidin-1-Yl)Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-(5-Iodo-2,4-Diketo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₄IN₂O₁₄P₃
• Molecular Weight: 594.04
• CAS Registry Number: 3731-55-3
• 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)NC(=O)C(=C2)I
• InChI: 1S/C9H14IN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
• InChIKey: ZWDWDTXYXXJLJB-RRKCRQDMSA-N

Properties

• Density: 2.359g/cm³ (Cal.)