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

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Properties Simple | Detailed

Formula C9H12FN2O7PS
IUPAC Name [(2r,3s,5r)-5-(5-fluoro-4-oxo-2-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 342.238 g·mol−1
Heat of Formation -1615.2 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 336.86 Å 3
Surface Area 288.69 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thio-5-fluoro-dump
  • 2-thio-fdump
  • 5'-uridylic acid, 2'-deoxy-5-fluoro-2-thio-
  • 5-fluoro-2-thio-2'-deoxyuridine 5'-monophosphate
  • 5-fluoro-2-thio-2'-deoxyuridylate
  • 5-fluoro-2-thio-dump
  • [(2r,3s,5r)-5-(5-fluoro-4-keto-2-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-4-oxo-2-sulfanylidene-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-4-oxo-2-sulfanylidenepyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-4-oxo-2-thioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-(5-fluoro-4-oxo-2-thioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 151134-50-8
InChIKey PXPNVLJSFWJANJ-RRKCRQDMSA-N
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