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

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Properties Simple | Detailed

Formula C9H13FN3O7P
IUPAC Name [(2r,3s,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 325.188 g·mol−1
Heat of Formation -1629.1 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 325.84 Å 3
Surface Area 289.18 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 2'-deoxy-5-fluoro-
  • 5-fluoro-2'-deoxycytidine 5'-monophosphate
  • [(2r,3s,5r)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • fdcmp
InChIKey OPBLKWSMVCXQNV-RRKCRQDMSA-N
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Elements C F H O N P