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

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Properties Simple | Detailed

Formula C17H21N4O9S
IUPAC Name [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen sulfate
Molecular Mass 457.435 g·mol−1
Heat of Formation -1402.5 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 476.42 Å 3
Surface Area 413.16 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -2.11 ± 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] hydrogen sulfate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] hydrogen sulfate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] hydrogen sulfate
  • [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen sulfate
  • riboflavin 5'-sulfate
  • riboflavin, 5'-(hydrogen sulfate)
  • riboflavin-5'-sulfate
CAS Number(s)
  • 1107-62-6
InChIKey RUUGCTAFWMEMDH-MBNYWOFBSA-N
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