2'-Deoxy-5-[(1E)-3,3,3-Trifluoro-1-Propen-1-Yl]Uridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C12H14F3N2O8P
IUPAC Name [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 402.217 g·mol−1
Heat of Formation -2347.3 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 389.87 Å 3
Surface Area 318.86 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2'-deoxy-5-(3,3,3-trifluoro-1-propenyl)-5'-uridylic acid
  • 5-(3,3,3-trifluoro-1-propenyl)-2'-deoxyuridylate
  • [(2r,3s,5r)-5-[2,4-diketo-5-[(e)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-3,3,3-trifluoroprop-1-enyl]-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[2,4-dioxo-5-[(e)-3,3,3-trifluoroprop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 69150-50-1
InChIKey GUYOIQPPMMTUIR-PIXDULNESA-N
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