8-Oxo-2,3,7,8-Tetrahydroxanthosine 5'-(Dihydrogen Phosphate)

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Formula C10H13N4O10P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurine-4,5-diid-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 380.205 g·mol−1
Heat of Formation -2014.6 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 362.48 Å 3
Surface Area 307.93 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 8-oxoxanthosine 5'-(dihydrogen phosphate)
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-triketo-3,7-dihydropurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2,6,8-trioxo-3,7-dihydropurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • urate d-ribonucleotide
InChIKey YWNXQSHHYSTFPH-UMMCILCDSA-N
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