1,3,7,9-Tetrabutylpyrimido[5,4-G]Pteridine-2,4,6,8(1H,3H,7H,9H)-Tetrone 5-Oxide

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Formula C24H39N6O5+
IUPAC Name 1,3,7,9-tetra(butyl)-5-oxido-pyrimido[5,4-g]pteridin-10-ium-4a,5a-diide-2,4,6,8-tetrone
Molecular Mass 491.604 g·mol−1
Heat of Formation 2087.2 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 590.72 Å 3
Surface Area 481.51 Å 2
HOMO Energy -3.45 ± 0.55 eV
LUMO Energy -2.40 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3,7,9-tetrabutyl-5-oxido-pyrimido[5,6-g]pteridin-5-ium-2,4,6,8-diquinone
  • 1,3,7,9-tetrabutyl-5-oxido-pyrimido[5,6-g]pteridin-5-ium-2,4,6,8-tetrone
  • 1,3,7,9-tetrabutyl-5-oxidopyrimido[5,6-g]pteridin-5-ium-2,4,6,8-tetrone
  • ppo-54g5
  • pyrimido(5,4-g)pteridine-2,4,6,8(1h,3h,7h,9h)-tetrone, 1,3,7,9-tetrabutyl-, 5-oxide
  • pyrimido(5,4-g)pteridinetetrone 5-oxide, 1,3,7,9-tetrabutyl
CAS Number(s)
  • 33070-58-5
InChIKey MTWAUWYOWWKLNY-UHFFFAOYSA-N
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