1-Deoxy-1-(8-Fluoro-7-Methyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C16H18FN4O6++
IUPAC Name 8-fluoro-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-ide-2,4-dione
Molecular Mass 381.336 g·mol−1
Heat of Formation -1045.7 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 407.31 Å 3
Surface Area 354.58 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 8-fluoro-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
  • 8-fluoro-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone
  • 8-fluoro-8-demethyl fmn
  • 8-fluoro-8-demethylriboflavin
  • 8-fluororiboflavin
  • riboflavin, 8-demethyl-8-fluoro-
CAS Number(s)
  • 1691-79-8
InChIKey MTTAVTXUUOPWJL-LOWVWBTDSA-N
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