[(2R,3S,4R)-5-(5-Bromo-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 3398-50-3]

Identification

• Name: [(2R,3S,4R)-5-(5-Bromo-2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4R)-5-(5-Bromo-2,4-Dioxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R)-5-(5-Bromo-2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R)-5-(5-Bromo-2,4-Diketo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₉H₁₄BrN₂O₁₅P₃
• Molecular Weight: 563.04
• CAS Registry Number: 3398-50-3
• SMILES: N2(C1O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)C(=O)NC(=O)C(=C2)Br
• InChI: 1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8?/m1/s1
• InChIKey: IWFHOSULCAJGRM-CDRSNLLMSA-N

Properties

• Density: 2.325g/cm³ (Cal.)