5-[(E)-2-Bromovinyl]-1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H18BrN2O15P3
IUPAC Name [[(2r,3s,4s,5r)-5-[5-(2-bromoethyl)-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphooxy phosphate
Molecular Mass 591.090 g·mol−1
Heat of Formation -3555.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 505.95 Å 3
Surface Area 429.34 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(2-bromoethenyl)-1-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-, (e)-
  • 2,4(1h,3h)-pyrimidinedione, 5-[(e)-2-bromoethenyl]-1-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-d-arabinofuranosyl]-
  • 5-(2-bromovinyl)-1-arabinofuranosyluracil 5'-triphosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • brvarafutp
  • bvarautp
CAS Number(s)
  • 79551-90-9
InChIKey JNMYFIFJJZAASP-HQNLTJAPSA-N
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Elements C H O N P Br