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

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Properties Simple | Detailed

Formula C16H18ClN4O9P
IUPAC Name [(2r,3s,4s)-5-(8-chloro-7-methyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 476.762 g·mol−1
Heat of Formation -1741.0 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 482.16 Å 3
Surface Area 408.39 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chloro-fmn
  • [(2r,3s,4s)-5-(8-chloro-2,4-diketo-7-methyl-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(8-chloro-7-methyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(8-chloro-7-methyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-5-(8-chloro-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
  • riboflavin 5'-(dihydrogen phosphate), 8-chloro-8-demethyl-
CAS Number(s)
  • 73358-82-4
InChIKey DKYVSFDSPHQPQL-LOWVWBTDSA-N
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Elements C Cl H O N P