(8R)-8-[(1S)-1,2-Dihydroxyethyl]-6,8,11-Trihydroxy-1-Methoxy-7,8,9,10-Tetrahydro-5,12-Tetracenedione

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Properties Simple | Detailed

Formula C21H20O8
IUPAC Name (9r)-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
Molecular Mass 400.379 g·mol−1
Heat of Formation -1149.6 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 427.57 Å 3
Surface Area 367.01 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (9r)-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-dione
  • (9r)-9-[(1s)-1,2-dihydroxyethyl]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7h-tetracene-5,12-quinone
  • 5,12-naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (s-(r*,s*))-
  • 7-deoxyadriamycinol aglycone
  • 7-deoxydoxorubicinol aglycone
  • adriamycinol 7-deoxyaglycone
CAS Number(s)
  • 37818-13-6
InChIKey IGJIPNOEJDYNRR-YEJXKQKISA-N
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