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

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Properties Simple | Detailed

Formula C25H28N4O10
IUPAC Name [(2r,3s,4s)-2,3,4-triacetoxy-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10a-ylium-1-id-10-yl)pentyl] acetate
Molecular Mass 544.511 g·mol−1
Heat of Formation -1692.7 ± 16.7 kJ·mol−1
Dipole Moment 8.79 ± 1.08 D
Volume 614.11 Å 3
Surface Area 454.49 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2s,3r)-2,3,4-triacetoxy-1-[(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)methyl]butyl] acetate
  • [(2s,3s,4r)-3,4,5-triacetyloxy-1-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)pentan-2-yl] ethanoate
  • acetic acid [(1s,2s,3r)-2,3,4-triacetoxy-1-[(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)methyl]butyl] ester
  • acetic acid [(1s,2s,3r)-2,3,4-triacetoxy-1-[(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)methyl]butyl] ester
InChIKey VKVDYPHLGLIXAG-VWPQPMDRSA-N
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