5-[(E)-2-Bromovinyl]-2'-Deoxyuridine 5'-(Tetrahydrogen Triphosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16BrN2O14P3
IUPAC Name [[(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 573.075 g·mol−1
Heat of Formation -3385.2 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 504.72 Å 3
Surface Area 378.98 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-(2-bromovinyl)-2'-deoxyuridine triphosphate
  • (e)-5-(2-bromovinyl)-dutp
  • 5-(2-bromovinyl)-2'-deoxyuridine-5'-triphosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-bromovinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • bv(5)dutp
  • bvdutp
  • uridine 5'-(tetrahydrogen triphosphate), 5-(2-bromoethenyl)-2'-deoxy-, (e)-
  • uridine 5'-(tetrahydrogen triphosphate), 5-[(1e)-2-bromoethenyl]-2'-deoxy-
CAS Number(s)
  • 77222-61-8
InChIKey BDKFDDMJXWAXHI-PIXDULNESA-N
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Elements C H O N P Br