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

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Properties Simple | Detailed

Formula C18H23N4O6++
IUPAC Name 3,7,8-trimethyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-ide-2,4-dione
Molecular Mass 391.398 g·mol−1
Heat of Formation -895.1 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 435.42 Å 3
Surface Area 378.78 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7,8-trimethyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
  • 3,7,8-trimethyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone
  • 3-methylriboflavin
  • riboflavin, 3-methyl-
CAS Number(s)
  • 28721-76-8
InChIKey RGUVADPNZLSRIL-GUTXKFCHSA-N
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