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

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Formula C17H23N4O8PS
IUPAC Name [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentoxy]-dihydroxy-sulfido-phosphonium
Molecular Mass 474.425 g·mol−1
Heat of Formation -1546.5 ± 16.7 kJ·mol−1
Dipole Moment 10.64 ± 1.08 D
Volume 499.44 Å 3
Surface Area 426.02 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 10-[(2r,3r,4s)-5-dihydroxyphosphinothioyloxy-2,3,4-trihydroxy-pentyl]-7,8-dimethyl-benzo[g]pteridine-2,4-dione
  • 10-[(2r,3r,4s)-5-dihydroxyphosphinothioyloxy-2,3,4-trihydroxypentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
  • 10-[(2r,3r,4s)-5-dihydroxythiophosphoryloxy-2,3,4-trihydroxy-pentyl]-7,8-dimethyl-benzo[g]pteridine-2,4-quinone
  • 5'-fmns
CAS Number(s)
  • 109637-87-8
InChIKey BVDKANIIUDRDSK-MBNYWOFBSA-N
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