5-Bromo-2'-Deoxyuridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H12BrN2O8P++
IUPAC Name [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 387.078 g·mol−1
Heat of Formation -1684.4 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 342.51 Å 3
Surface Area 293.02 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-uridylic acid, 5-bromo-2'-deoxy-
  • 5-bromo-2'-deoxyuridine 5'-monophosphate
  • 5-bromo-2'-deoxyuridine-5'-monophosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • bromodeoxyuridylate
  • bru
  • uridine, 5-bromo-2'-deoxy-, 5'-(dihydrogen phosphate)
CAS Number(s)
  • 6666-38-2
InChIKey LHLHVDBXXZVYJT-RRKCRQDMSA-N
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Elements C H O N P Br