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

Molecule SVG Image

Properties Simple | Detailed

Formula C17H22N4O12PS
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 537.415 g·mol−1
Heat of Formation -2221.6 ± 16.7 kJ·mol−1
Dipole Moment 13.18 ± 1.08 D
Volume 539.55 Å 3
Surface Area 451.4 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -2.67 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S