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

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Properties Simple | Detailed

Formula C19H23N4O8++
IUPAC Name 2-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-id-3-yl]acetic acid
Molecular Mass 435.408 g·mol−1
Heat of Formation -1254.5 ± 16.7 kJ·mol−1
Dipole Moment 9.34 ± 1.08 D
Volume 476.22 Å 3
Surface Area 405.76 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2,4-diketo-7,8-dimethyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
  • 2-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3-benzo[g]pteridinyl]acetic acid
  • 2-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetic acid
  • 2-[7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]ethanoic acid
  • 3-carboxymethylriboflavin
  • benzo(g)pteridine-3(2h)-acetic acid, 4,10-dihydro-7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-, (2s-(2r*,3r*,4s*))-
  • cm-riboflavin
CAS Number(s)
  • 28714-80-9
InChIKey YFKSNCIPAHACKJ-ZENOOKHLSA-N
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