3-Hydroxy-3,7-Dihydro-1H-Purine-2,6-Dionato

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Properties Simple | Detailed

Formula C5H8N4O3
IUPAC Name 3-hydroxy-7,8-dihydropurine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 172.142 g·mol−1
Heat of Formation -188.2 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 166.93 Å 3
Surface Area 168.93 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-3-hydroxy-
  • 1h-purine-2,6-dione, 3,7-dihydro-3-hydroxy- (9ci)
  • 3,7-dihydro-3-hydroxy-1h-purine-2,6-dione
  • 3-hydroxy-7h-purine-2,6-dione
  • 3-hydroxy-7h-purine-2,6-quinone
  • 3-hydroxyxanthine
  • n-hydroxyxanthine
  • xanthine, 3-hydroxy-
  • xanthine-3-n-oxide
  • xanthine-x-n-oxide
CAS Number(s)
  • 703-39-9
InChIKey WYOFOAXXUITNKN-UHFFFAOYSA-N
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