1-Deoxy-1-(7-Methyl-2,4-Dioxo-8-Thioxo-1,3,4,8-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl)-5-O-Phosphono-D-Ribitol

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Formula C16H19N4O9PS
IUPAC Name [(2r,3s,4s)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-thioxo-1h-benzo[g]pteridin-10-yl)pentyl] dihydrogen phosphate
Molecular Mass 474.382 g·mol−1
Heat of Formation -1648.2 ± 16.7 kJ·mol−1
Dipole Moment 9.21 ± 1.08 D
Volume 485.22 Å 3
Surface Area 421.73 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 8-mercapto-fmn
  • [(2r,3s,4s)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-thioxo-1h-benzo[g]pteridin-10-yl)pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(2,4-diketo-7-methyl-8-thioxo-1h-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • riboflavin 5'-(dihydrogen phosphate), 8-demethyl-8-mercapto-
CAS Number(s)
  • 71800-98-1
InChIKey FBEPGJXJVDGXDD-CWSCBRNRSA-N
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