1-(2-Deoxy-5-O-Phosphono-β-D-Erythro-Pentofuranosyl)-5-Fluoro-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12FN2O7PS++
IUPAC Name [(2r,3s,5r)-5-(5-fluoro-2-oxo-4-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 342.238 g·mol−1
Heat of Formation -1620.3 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 336.31 Å 3
Surface Area 291.16 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 4-thio-5-fdump
  • 4-thio-5-fluoro-dump
  • 5'-uridylic acid, 2'-deoxy-5-fluoro-4-thio-
  • 5-fluoro-4-thio-2'-deoxyuridine 5'-monophosphate
  • 5-fluoro-4-thio-2'-deoxyuridylate
  • 5-fluoro-4-thio-2'-dump
  • [(2r,3s,5r)-5-(5-fluoro-2-keto-4-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2-oxo-4-sulfanylidene-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2-oxo-4-sulfanylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2-oxo-4-thioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-2-oxo-4-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 114319-04-9
InChIKey VLTZYBAOAJCYLU-RRKCRQDMSA-N
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