5-Sulfanyluridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C9H13N2O9PS
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 356.246 g·mol−1
Heat of Formation -1876.0 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 350.68 Å 3
Surface Area 300.8 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-uridylic acid, 5-mercapto-
  • 5-mercaptouridine monophosphate
  • 5-mercaptouridylic acid
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-mercapto-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-diketo-5-mercapto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 58380-75-9
InChIKey CNZHSMAVJXLLPA-ZIYNGMLESA-N
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