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

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Properties Simple | Detailed

Formula C17H23N4O9P
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridine-5,10-diium-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 458.360 g·mol−1
Heat of Formation -1861.1 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 489.96 Å 3
Surface Area 410.55 Å 2
HOMO Energy -7.58 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol
  • [(2r,3s,4s)-5-(2,4-diketo-7,8-dimethyl-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • two electron reduced flavin mononucleotide
InChIKey YTNIXZGTHTVJBW-SCRDCRAPSA-N
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