4,9-Dihydroxy-6,7-Bis[(2R)-2-Hydroxypropyl]-1,5,8,12-Tetramethoxy-3,10-Perylenedione

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Properties Simple | Detailed

Formula C25H12O10
IUPAC Name 6-(2-hydroxyethynyl)-7-(3-hydroxyprop-2-ynyl)-3a,6,7,9a-tetrahydroperylene-1,3,4,5,8,9,10,12-octone
Molecular Mass 472.357 g·mol−1
Heat of Formation -1451.3 ± 16.7 kJ·mol−1
Dipole Moment 0.60 ± 1.08 D
Volume 617.51 Å 3
Surface Area 470.55 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-perylene-3,10-dione
  • 4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxy-perylene-3,10-quinone
  • 4,9-dihydroxy-6,7-bis[(2r)-2-hydroxypropyl]-1,5,8,12-tetramethoxyperylene-3,10-dione
InChIKey WJBHEYCJMSCKIP-VXGBXAGGSA-N
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