2,6-Dioxo-9-(5-O-Phosphonopentofuranosyl)-2,3,6,9-Tetrahydro-1H-Purin-7-Ium

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Properties Simple | Detailed

Formula C10H13N4O9P
IUPAC Name [(2r,3s,4r,5r)-5-(2,6-dioxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 364.205 g·mol−1
Heat of Formation -373.4 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 321.35 Å 3
Surface Area 292.72 Å 2
Point Group Symmetry C1
Synonyms
  • 5--monophosphate-9-beta-d-ribofuranosyl xanthine
  • [(2r,3s,4r,5r)-5-(2,6-diketo-3,7-dihydropurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3,7-dihydropurin-9-ium-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3,7-dihydropurin-9-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3,7-dihydropurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-3,7-dihydropurin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • xanthosine-5'-monophosphate
InChIKey DCTLYFZHFGENCW-UUOKFMHZSA-O
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