(5R,6R,7S)-5,6,7,9,10-Pentahydroxy-2-Methoxy-7-Methyl-5,6,7,8-Tetrahydro-1,4-Anthracenedione

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Properties Simple | Detailed

Formula C16H16O8
IUPAC Name (5r,6r,7s)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
Molecular Mass 336.293 g·mol−1
Heat of Formation -1238.2 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 352.48 Å 3
Surface Area 304.88 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r,7s)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
  • (5r,6r,7s)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-quinone
  • 1,2,3,4-tetrahydro-1-beta,2-beta,3-beta,5,8-pentahydroxy-6-methoxy-3-methylanthraquinone
  • 1,4-anthracenedione, 5,6,7,8-tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-, (5s-(5alpha,6beta,7beta))-
  • 5,6,7,8-tetrahydro-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-1,4-anthracenedione (5s-(5alpha,6beta,7beta))-
  • 9,10-anthracenedione, 1,2,3,4-tetrahydro-1,2,3,5,8-pentahydroxy-6-methoxy-3-methyl-, (1r-(1alpha,2alpha,3alpha))-
  • anthraquinone, 1,2,3,4-tetrahydro-1-beta,2-beta,3-beta,5,8-pentahydroxy-6-methox
  • anthraquinone, 1,2,3,4-tetrahydro-1-beta,2-beta,3-beta,5,8-pentahydroxy-6-methoxy-3-methyl-
  • bostrycin
  • rhodosporin
CAS Number(s)
  • 21879-81-2
InChIKey ZQNOLGRKZRDRQO-OAGGEKHMSA-N
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