2'-Deoxy-5-Fluoro-N-Hydroxycytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13FN3O8P
IUPAC Name [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 341.187 g·mol−1
Heat of Formation -1685.3 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 336.41 Å 3
Surface Area 292.12 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-uridylic acid, 2'-deoxy-5-fluoro-, 4-oxime
  • [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-fluoro-4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • n(4)-hydroxy-5-fluoro-dcmp
  • n(4)-hydroxy-5-fluorodeoxycytidine monophosphate
  • n(4)-oh-5-fdcmp
CAS Number(s)
  • 114333-22-1
InChIKey NLJQYFRLORVALI-RRKCRQDMSA-N
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Elements C F H O N P