3'-O-[{[(3-Bromo-2-Oxopropoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Uridine

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Properties Simple | Detailed

Formula C12H17BrN2O13P2++
IUPAC Name [(3-bromo-2-oxo-propoxy)-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 539.121 g·mol−1
Heat of Formation -2892.4 ± 16.7 kJ·mol−1
Dipole Moment 6.65 ± 1.08 D
Volume 476.3 Å 3
Surface Area 383.96 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
Synonyms
  • [(3-bromo-2-keto-propoxy)-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(3-bromo-2-oxo-propoxy)-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(3-bromo-2-oxo-propoxy)-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(3-bromo-2-oxopropoxy)-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(3-bromo-2-oxopropoxy)-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • udp bromoacetol
  • uridine 5'-(trihydrogen diphosphate), p'-(3-bromo-2-oxopropyl) ester
  • uridine 5'-diphosphate bromoacetol
CAS Number(s)
  • 125303-05-1
InChIKey RISBOGPWYUPYJG-QCNRFFRDSA-N
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Elements C H O N P Br