2'-Deoxy-5-[(1E)-1-Propen-1-Yl]Uridine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C12H19N2O14P3
IUPAC Name [[(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 508.206 g·mol−1
Heat of Formation -3448.2 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 496.68 Å 3
Surface Area 398.07 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-[2,4-diketo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [e]-5-(1-propenyl)-2'-deoxyuridine-5'-triphosphate
  • npredutp
  • uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(1-propenyl)-, (e)-
CAS Number(s)
  • 79551-91-0
InChIKey CAXWPNQGBOGSQH-YJCWOPNRSA-N
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