Oxo(1,3,7-Trimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Acetaldehyde

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Formula C10H10N4O4
IUPAC Name 2-oxo-2-(1,3,7-trimethyl-2,6-dioxo-purine-4,5,8,9-tetraid-8-yl)acetaldehyde
Molecular Mass 250.211 g·mol−1
Heat of Formation -410.7 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 269.76 Å 3
Surface Area 252.41 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,7-trimethylxanthin-6-ylglyoxal
  • 1h-purine-8-acetaldehyde, 2,3,6,7-tetrahydro-1,3,7-trimethyl-alpha,2,6-trioxo-
  • 2-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)-2-keto-acetaldehyde
  • 2-oxo-2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)acetaldehyde
  • 2-oxo-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)acetaldehyde
  • 2-oxo-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethanal
  • 2-oxo-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetaldehyde
CAS Number(s)
  • 67162-81-6
InChIKey QIGARUURWDVAPZ-UHFFFAOYSA-N
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