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

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Properties Simple | Detailed

Formula C17H22N4O8PS
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-4-oxo-2-thioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 473.417 g·mol−1
Heat of Formation -1501.4 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 494.82 Å 3
Surface Area 423.63 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thio-fmn
  • 2-thioriboflavine 5'-monophosphate
  • [(2r,3s,4s)-2,3,4-trihydroxy-5-(4-keto-7,8-dimethyl-2-thioxo-benzo[g]pteridin-10-yl)pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-4-oxo-2-sulfanylidene-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-4-oxo-2-sulfanylidenebenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-4-oxo-2-thioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(7,8-dimethyl-4-oxo-2-thioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
CAS Number(s)
  • 28979-30-8
InChIKey BFPBHBPECIDFOK-SCRDCRAPSA-N
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