1-O-Butyryl-5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-D-Ribitol

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Properties Simple | Detailed

Formula C21H27N4O7
IUPAC Name [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-6h-benzo[g]pteridine-1,5-diium-6-id-10-yl)-2,3,4-trihydroxy-pentyl] butanoate
Molecular Mass 447.462 g·mol−1
Heat of Formation -1139.0 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 507.79 Å 3
Surface Area 442.61 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -2.06 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] butanoate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] butanoate
  • butanoic acid [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] ester
  • butyric acid [(2s,3r,4r)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] ester
  • riboflavin, 5'-butanoate
  • riboflavin-5'-monobutyrate
CAS Number(s)
  • 20704-80-7
InChIKey DNNYFPLSGADQHQ-RVKKMQEKSA-N
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