5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2,3-Pentanedione

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Properties Simple | Detailed

Formula C10H10N4O3
IUPAC Name 5-(6-oxo-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaid-9-yl)pentane-2,3-dione
Molecular Mass 234.211 g·mol−1
Heat of Formation -202.4 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 263.09 Å 3
Surface Area 243.5 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-pentanedione, 5-(1,6-dihydro-6-oxo-9h-purin-9-yl)-
  • 5-(6-keto-3h-purin-9-yl)pentane-2,3-dione
  • 5-(6-oxo-3h-purin-9-yl)pentane-2,3-dione
  • 9-(3,4-dioxopentyl)hypoxanthine
  • 9-doph
CAS Number(s)
  • 84182-19-4
InChIKey WGVLKCJJZFOIBX-UHFFFAOYSA-N
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