5-Fluorocytidine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13FN3O8P
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 341.187 g·mol−1
Heat of Formation -1814.2 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 334.62 Å 3
Surface Area 296.62 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-cytidylic acid, 5-fluoro-, homopolymer
  • [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(5-fluorocytidylic acid)
CAS Number(s)
  • 51960-70-4
InChIKey VLZKLBLFWAHHJM-UAKXSSHOSA-N
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Elements C F H O N P