3-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Propanoic Acid

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Formula C15H15N4O4++
IUPAC Name 3-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10a-ylium-1-id-10-yl)propanoic acid
Molecular Mass 315.304 g·mol−1
Heat of Formation -489.0 ± 16.7 kJ·mol−1
Dipole Moment 9.26 ± 1.08 D
Volume 348.41 Å 3
Surface Area 315.02 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(carboxyethyl)flavin
  • 3-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)propionic acid
  • 3-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)propanoic acid
  • 3-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)propanoic acid
  • 3-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)propanoic acid
  • benzo(g)pteridine-10(2h)-propanoic acid, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-
CAS Number(s)
  • 20781-13-9
InChIKey QSEDXUHADUCKNA-UHFFFAOYSA-N
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