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

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Properties Simple | Detailed

Formula C17H21N4O12PS
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate; sulfur trioxide
Molecular Mass 536.407 g·mol−1
Heat of Formation -2202.8 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 551.79 Å 3
Surface Area 459.49 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diketo-7,8-dimethyl-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]benzo[g]pteridin-5-ium-5-sulfonate
  • 7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]benzo[g]pteridin-5-ium-5-sulfonate
  • 7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxypentyl]-5-benzo[g]pteridin-5-iumsulfonate
  • fns
  • n-sulfo-flavin mononucleotide
InChIKey ZLPUGFBBLGQWBS-SCRDCRAPSA-N
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