1-Deoxy-1-(6,7-Dimethyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-5-O-Phosphono-D-Ribitol

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Properties Simple | Detailed

Formula C17H22N4O9P
IUPAC Name [(2r,3s,4s)-5-(6,7-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 457.352 g·mol−1
Heat of Formation -1761.9 ± 16.7 kJ·mol−1
Dipole Moment 7.73 ± 1.08 D
Volume 476.43 Å 3
Surface Area 403.67 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s)-5-(2,4-diketo-6,7-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(6,7-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(6,7-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(6,7-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • iso-fmn
  • riboflavin 5'-(dihydrogen phosphate), 8-demethyl-6-methyl-
CAS Number(s)
  • 28848-42-2
InChIKey HRBRRLFZEHESIR-WDMOLILDSA-N
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