2,4,7(1H,3H,8H)-Pteridinetrione

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Properties Simple | Detailed

Formula C6H4N4O3+++
IUPAC Name pteridine-2,4,7-trione
Molecular Mass 180.121 g·mol−1
Heat of Formation -353.7 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 180.34 Å 3
Surface Area 179.8 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4,6-trihydroxypteridine
  • 2,4,7(1h,3h,8h)-pteridinetrione (8ci)(9ci)
  • 2,4,7-pteridinetriol
  • 2,4,7-trihydroxypteridine
  • 7-hydroxylumazine
  • lumazine, 7-hydroxy-
  • violapterin
CAS Number(s)
  • 2577-38-0
InChIKey BCVUYVOMXUKYFC-UHFFFAOYSA-N
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