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

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Properties Simple | Detailed

Formula C16H18ClN4O6++
IUPAC Name 7-chloro-8-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-ide-2,4-dione
Molecular Mass 397.790 g·mol−1
Heat of Formation -893.7 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 421.43 Å 3
Surface Area 362.05 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 7-chloro-7-demethylriboflavin
  • 7-chloro-8-methyl-10-(1'-d-ribityl)isoalloxazine
  • 7-chloro-8-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
  • 7-chloro-8-methyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-quinone
  • 7-chlororiboflavin
  • riboflavin, 7-chloro-7-demethyl-
InChIKey MQQMUVNIJRTNJX-LOWVWBTDSA-N
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Elements H C N O Cl