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

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Properties Simple | Detailed

Formula C16H16O7
IUPAC Name (6r,7s)-6,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
Molecular Mass 320.294 g·mol−1
Heat of Formation -1042.8 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 343.3 Å 3
Surface Area 301.92 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-6,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
  • (6r,7s)-6,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-quinone
  • 4-deoxybostrycin
  • 9,10-anthracenedione, 1,2,3,4-tetrahydro-2,3,5,8-tetrahydroxy-7-methoxy-2-methyl-, (2s-cis)-
CAS Number(s)
  • 21879-83-4
InChIKey NCLWGURXHFTQGF-HWPZZCPQSA-N
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