5-Bromouridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H14BrN2O15P3
IUPAC Name [[(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 563.037 g·mol−1
Heat of Formation -3585.5 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 467.51 Å 3
Surface Area 359.22 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
InChIKey IWFHOSULCAJGRM-UAKXSSHOSA-N
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Elements C H O N P Br