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

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Formula C16H18N4O6S
IUPAC Name 7-methyl-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-8-thioxo-1h-benzo[g]pteridin-5-ium-10a-ide-2,4-dione
Molecular Mass 394.402 g·mol−1
Heat of Formation -791.7 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 424.41 Å 3
Surface Area 359.51 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -2.38 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methyl-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-8-thioxo-1h-benzo[g]pteridine-2,4-dione
  • 7-methyl-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]-8-thioxo-1h-benzo[g]pteridine-2,4-quinone
  • 8-mercaptoriboflavin
  • riboflavin, 8-demethyl-8-mercapto-
CAS Number(s)
  • 71800-64-1
InChIKey QCVUIQMJFKORPS-GBIKHYSHSA-N
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