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

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Properties Simple | Detailed

Formula C15H15N4O4++
IUPAC Name (7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10a-ylium-1-id-10-yl)methyl acetate
Molecular Mass 315.304 g·mol−1
Heat of Formation -456.5 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 347.15 Å 3
Surface Area 318.73 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)methyl acetate
  • (7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)methyl ethanoate
  • (7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)methyl acetate
  • acetic acid (2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)methyl ester
  • acetic acid (7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)methyl ester
  • benzo(g)pteridine-2,4(3h,10h)-dione, 10-((acetyloxy)methyl)-7,8-dimethyl-
  • hydroxymethylflavin
CAS Number(s)
  • 35847-78-0
InChIKey KEDBIZKNSLJORX-UHFFFAOYSA-N
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