(7,8,10-Trimethyl-2,4-Dioxo-1,4,5,10-Tetrahydrobenzo[G]Pteridin-3(2H)-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C15H26N4O4++
IUPAC Name 2-[(10r)-7,8,10-trimethyl-2,4-dioxo-1,5,6,9-tetrahydrobenzo[g]pteridine-4a,5a,6,7,8,9,9a,10a-octaid-3-yl]acetic acid
Molecular Mass 326.391 g·mol−1
Heat of Formation -554.6 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 351.14 Å 3
Surface Area 314.21 Å 2
HOMO Energy -7.51 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4,5,10-tetrahydro-7,8,10-trimethyl-2,4-dioxobenzo(g)pteridine-3(2h)-acetic acid
  • 1,5-dihydro-n(3)-carboxymethyllumiflavin
  • 2-(2,4-diketo-7,8,10-trimethyl-1,5-dihydrobenzo[g]pteridin-3-yl)acetic acid
  • 2-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)ethanoic acid
  • benzo(g)pteridine-3(2h)-acetic acid, 1,4,5,10-tetrahydro-7,8,10-trimethyl-2,4-dioxo-
  • cflh2
CAS Number(s)
  • 50635-52-4
InChIKey IYYJWWWBXPZJDL-UHFFFAOYSA-N
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