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

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Properties Simple | Detailed

Formula C16H18BrN4O6++
IUPAC Name 8-bromo-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-ide-2,4-dione
Molecular Mass 442.241 g·mol−1
Heat of Formation -830.8 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 429.34 Å 3
Surface Area 365.78 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-8-bromo-10-(1'-d-ribityl)isoalloxazine
  • 8-bromo-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
  • 8-bromo-7-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone
  • 8-bromo-8-demethylriboflavin
  • 8-bromoriboflavin
CAS Number(s)
  • 40371-66-2
InChIKey RTKPTZLXBPBWTM-LOWVWBTDSA-N
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Elements H C O Br N