5-[(E)-2-Bromovinyl]-2'-Deoxyuridine 5'-(Dihydrogen Phosphate)

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Formula C11H14BrN2O8P
IUPAC Name [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 413.115 g·mol−1
Heat of Formation -1649.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 373.94 Å 3
Surface Area 329.27 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-[5-[(e)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey LKWCVKAHHUJPQO-PIXDULNESA-N
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Elements C H O N P Br