(1R,4Ar,12As)-3-Acetyl-1-Amino-4,4A,6,7-Tetrahydroxy-8,11-Dimethyl-12,12A-Dihydro-2,5(1H,4Ah)-Tetracenedione

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Properties Simple | Detailed

Formula C22H21NO7
IUPAC Name (1r,4ar,12as)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1h-tetracene-2,5-dione
Molecular Mass 411.405 g·mol−1
Heat of Formation -1051.9 ± 16.7 kJ·mol−1
Dipole Moment 10.07 ± 1.08 D
Volume 449.47 Å 3
Surface Area 373.68 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4ar,12as)-1-amino-3-ethanoyl-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1h-tetracene-2,5-dione
  • (1r,4ar,12as)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1h-tetracene-2,5-dione
  • (1r,4ar,12as)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1h-tetracene-2,5-quinone
  • 1,12-(4h,5h)-naphthacenedione, 2-acetyl-4-alpha-amino-4a-beta,12a-dihydro- 3,10,11,12a-beta-tetrahydroxy-6,9-dimethyl-
  • 2-decarboxamido-2-acetyl-4-dedimethylamino-4-epiamino-9-methyl-5a,6-anhydrotetracycline
  • 2-decarboxamido-2-acetyl-4-desdimethylamino-4-amino-9-methyl-5a,6-anhydrotetracycline
  • cetocycline
  • cetocyline
  • chelocardin
CAS Number(s)
  • 29144-42-1
InChIKey LUYXWZOOMKBUMB-ONJZCGHCSA-N
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