2-[(2S)-1,4-Dihydroxy-2-Butanyl]-1,3,6,8-Tetrahydroxy-9,10-Anthraquinone

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Properties Simple | Detailed

Formula C18H16O8
IUPAC Name 1,3,6,8-tetrahydroxy-2-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]anthracene-9,10-dione
Molecular Mass 360.315 g·mol−1
Heat of Formation -1299.6 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 382.14 Å 3
Surface Area 331.91 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,8-tetrahydroxy-2-[(1s)-3-hydroxy-1-(hydroxymethyl)propyl]anthracene-9,10-dione
  • 1,3,6,8-tetrahydroxy-2-[(1s)-3-hydroxy-1-methylol-propyl]-9,10-anthraquinone
  • 2-[(2s)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxy-anthracene-9,10-dione
  • 2-[(2s)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
  • 9,10-anthracenedione, 1,3,6,8-tetrahydroxy-2-(3-hydroxy-1-(hydroxymethyl)propyl)-, (-)-
  • versiconol
CAS Number(s)
  • 22268-13-9
InChIKey ZLIRCPWCWHTYNP-SSDOTTSWSA-N
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