2,4,6-Trihydroxypteridine

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Properties Simple | Detailed

Formula C6H4N4O3+++
IUPAC Name pteridine-1,5-diium-2,4,6-trione
Molecular Mass 180.121 g·mol−1
Heat of Formation -345.7 ± 16.7 kJ·mol−1
Dipole Moment 1.16 ± 1.08 D
Volume 178.48 Å 3
Surface Area 179.24 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,5-dihydro-2,4,6(3h)-pteridinetrione
  • 2,4,6(3h)-pteridinetrione, 1,5-dihydro-
  • lumazine, 6-hydroxy-
CAS Number(s)
  • 2577-35-7
InChIKey ICUZHLHSYKJAGS-UHFFFAOYSA-N
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