5-Bromo-2'-Deoxyuridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H14BrN2O14P3
IUPAC Name [[(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 547.038 g·mol−1
Heat of Formation -3417.9 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 464.39 Å 3
Surface Area 361.38 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 5-bromodeoxyuridine triphosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • brdutp
  • bromodeoxyuridine triphosphate
  • uridine 5'-(tetrahydrogen triphosphate), 5-bromo-2'-deoxy-
CAS Number(s)
  • 18736-53-3
InChIKey BLQCQNFLEGAHPA-RRKCRQDMSA-N
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Elements C H O N P Br