1,5,7,8-Tetrahydro-2,4,6(3H)-Pteridinetrione

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Properties Simple | Detailed

Formula C6H6N4O3
IUPAC Name 7,8-dihydro-5h-pteridine-2,4,6-trione
Molecular Mass 182.137 g·mol−1
Heat of Formation -427.6 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 183.89 Å 3
Surface Area 183.64 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,4,6(3h)-pteridinetrione, 1,5,7,8-tetrahydro-
  • 7,8-dihydro-6-hydroxylumazine
CAS Number(s)
  • 17528-94-8
  • 29745-56-0
InChIKey XBQISFWWQWPDSV-UHFFFAOYSA-N
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