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

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Properties Simple | Detailed

Formula C17H22N4O12P2
IUPAC Name [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] phosphono hydrogen phosphate
Molecular Mass 536.324 g·mol−1
Heat of Formation -2574.1 ± 16.7 kJ·mol−1
Dipole Moment 10.29 ± 1.08 D
Volume 548.76 Å 3
Surface Area 454.49 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] phosphono hydrogen phosphate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] phosphono hydrogen phosphate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] phosphono hydrogen phosphate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphono hydrogen phosphate
  • riboflavin 5'-(trihydrogen diphosphate)
  • riboflavin 5'-pyrophosphate
CAS Number(s)
  • 14985-41-2
InChIKey DJICTQVUSNOZCH-MBNYWOFBSA-N
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