[(2R,3S,4S,5R)-5-[5-[(E)-2-Bromoethenyl]-2,4-Dioxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
[CAS# 79551-90-9]

Identification

• Name: [(2R,3S,4S,5R)-5-[5-[(E)-2-Bromoethenyl]-2,4-Dioxopyrimidin-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate
• Synonyms: [(2R,3S,4S,5R)-5-[5-[(E)-2-Bromovinyl]-2,4-Dioxo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-[5-[(E)-2-Bromovinyl]-2,4-Dioxo-1-Pyrimidinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4S,5R)-5-[5-[(E)-2-Bromovinyl]-2,4-Diketo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₁H₁₆BrN₂O₁₅P₃
• Molecular Weight: 589.08
• CAS Registry Number: 79551-90-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@@H]1O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N2C(=O)NC(=O)C(=C2)\C=C\Br
• InChI: 1S/C11H16BrN2O15P3/c12-2-1-5-3-14(11(18)13-9(5)17)10-8(16)7(15)6(27-10)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-3,6-8,10,15-16H,4H2,(H,22,23)(H,24,25)(H,13,17,18)(H2,19,20,21)/b2-1+/t6-,7-,8+,10-/m1/s1
• InChIKey: JNMYFIFJJZAASP-HQNLTJAPSA-N

Properties

• Density: 2.262g/cm³ (Cal.)