[(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-Bromoacetyl)Amino]Prop-2-Enyl]-2,4-Dioxopyrimidin-1-Yl]-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 144978-95-0]

Identification

• Name: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-Bromoacetyl)Amino]Prop-2-Enyl]-2,4-Dioxopyrimidin-1-Yl]-4-Hydroxy-2-(Hydroxymethyl)Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-Bromoacetyl)Amino]Prop-2-Enyl]-2,4-Dioxo-Pyrimidin-1-Yl]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-Bromo-1-Oxoethyl)Amino]Prop-2-Enyl]-2,4-Dioxo-1-Pyrimidinyl]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[5-[(E)-3-[(2-Bromoacetyl)Amino]Prop-2-Enyl]-2,4-Diketo-Pyrimidin-1-Yl]-4-Hydroxy-2-Methylol-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₄H₁₉BrN₃O₁₀P
• Molecular Weight: 500.20
• CAS Registry Number: 144978-95-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)[C@H]1O)CO)N2C(=O)NC(=O)C(=C2)C\C=C\NC(=O)CBr
• InChI: 1S/C14H19BrN3O10P/c15-4-9(20)16-3-1-2-7-5-18(14(23)17-12(7)22)13-10(21)11(8(6-19)27-13)28-29(24,25)26/h1,3,5,8,10-11,13,19,21H,2,4,6H2,(H,16,20)(H,17,22,23)(H2,24,25,26)/b3-1+/t8-,10-,11-,13-/m1/s1
• InChIKey: BHEOWXWZDABYGJ-KNPYVMOCSA-N

Properties

• Density: 1.894g/cm³ (Cal.)