[(1R,2R,4R)-4-[5-[(E)-2-Bromovinyl]-2,4-Dioxo-Pyrimidin-1-Yl]-2-Hydroxy-Cyclopentyl]Methyl-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C12H18BrN2O12P3++
IUPAC Name [(1r,2r,4r)-4-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-2-hydroxy-cyclopentyl]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 555.103 g·mol−1
Heat of Formation -3037.5 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 504.45 Å 3
Surface Area 376.59 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4r)-4-[5-[(e)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-2-hydroxy-cyclopentyl]methyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
  • [(1r,2r,4r)-4-[5-[(e)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-2-hydroxycyclopentyl]methyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • [(1r,2r,4r)-4-[5-[(e)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-2-hydroxy-cyclopentyl]methyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
  • [(1r,2r,4r)-4-[5-[(e)-2-bromovinyl]-2,4-dioxo-1-pyrimidinyl]-2-hydroxycyclopentyl]methyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • c-bvd-utp
  • carbocyclic 5-(2-bromovinyl)-2'-deoxyuridine 5'-triphosphate
  • carbocyclic bvdutp
CAS Number(s)
  • 111634-67-4
InChIKey VJLGXWPNKMSNEZ-HFVMFMDWSA-N
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Elements C H O N P Br