(8S,10S)-8-Glycoloyl-6,8,10,11-Tetrahydroxy-1-Methoxy-7,8,9,10-Tetrahydro-5,12-Tetracenedione

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Properties Simple | Detailed

Formula C21H18O9
IUPAC Name (7s,9s)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 414.362 g·mol−1
Heat of Formation -1297.5 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 429.49 Å 3
Surface Area 366.23 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9s)-6,7,9,11-tetrahydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-6,7,9,11-tetrahydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (7s,9s)-9-glycoloyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • (8s-cis)-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
  • 5,12-naphthacenedione, 7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-
  • adriamycinone
  • doxorubicin aglycone
CAS Number(s)
  • 24385-10-2
InChIKey IBZGBXXTIGCACK-CWKPULSASA-N
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