2'-Deoxy-5-Formyluridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13N2O9P
IUPAC Name [(2r,3s,5r)-5-(5-formyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 336.192 g·mol−1
Heat of Formation -1838.7 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 331.14 Å 3
Surface Area 282.83 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-thymidylic acid, alpha-oxo-
  • 5-formyl-2'-deoxyuridylic acid
  • [(2r,3s,5r)-3-hydroxy-5-(5-methanoyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-formyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-formyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-formyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-formyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 31385-28-1
InChIKey LVYWYEBCBRVIEG-XLPZGREQSA-N
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