6,11-Dihydroxy-8,9-Bis[(2R)-2-Hydroxypropyl]-7,10-Dimethoxyperylo[1,12-Def][1,3]Dioxepine-5,12-Dione

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Formula C29H26O10
IUPAC Name 6,11-dihydroxy-8,9-bis[(2r)-2-hydroxypropyl]-7,10-dimethoxyperylo[1,12-def][1,3]dioxepine-5,12-dione
Molecular Mass 534.511 g·mol−1
Heat of Formation -1348.8 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 582.56 Å 3
Surface Area 437.31 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • perylo(1,12-def)-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer (van)
InChIKey MXLWQNCWIIZUQT-GHMZBOCLSA-N
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