Gaboroquinone B

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Properties Simple | Detailed

Formula C24H18O9
IUPAC Name 1-(3-acetyl-2,6-dihydroxy-4-methoxy-phenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Molecular Mass 450.394 g·mol−1
Heat of Formation -1321.6 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 476.16 Å 3
Surface Area 395.99 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-acetyl-2,6-dihydroxy-4-methoxy-phenyl)-4,5-dihydroxy-2-hydroxymethyl-anthraquinone
  • 1-(3-acetyl-2,6-dihydroxy-4-methoxy-phenyl)-4,5-dihydroxy-2-methylol-9,10-anthraquinone
  • 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthra-9,10-quinone
  • 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
  • 1-(3-ethanoyl-2,6-dihydroxy-4-methoxy-phenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
  • 9,10-anthracenedione, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)-
InChIKey XBZFXAYXSQAPPD-UHFFFAOYSA-N
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