5-Sulfanyluridine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C9H14N2O12P2S
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 436.226 g·mol−1
Heat of Formation -2744.1 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 413.59 Å 3
Surface Area 333.01 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-mercaptouridine 5'-diphosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(5-mercapto-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-diketo-5-mercapto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanyl-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,4-dioxo-5-sulfanylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • uridine 5'-(trihydrogen diphosphate), 5-mercapto-
CAS Number(s)
  • 58380-73-7
InChIKey YHJRHKRHTXEHAQ-ZIYNGMLESA-N
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