Methyl (6Ar,7S,10Ar)-6A,7,10A,12-Tetrahydroxy-3,8-Dimethoxy-1-Methyl-6,10,11-Trioxo-6,6A,7,10,10A,11-Hexahydro-2-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C23H20O11
IUPAC Name methyl (6ar,7s,10ar)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate
Molecular Mass 472.398 g·mol−1
Heat of Formation -1630.0 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 491.31 Å 3
Surface Area 410.48 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,7s,10ar)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylic acid methyl ester
  • (6ar,7s,10ar)-6a,7,10a,12-tetrahydroxy-6,10,11-triketo-3,8-dimethoxy-1-methyl-7h-tetracene-2-carboxylic acid methyl ester
  • 2-naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,10a,12,?-tetrahydroxy-3,?-dimethoxy-1-methyl-6,11,?-trioxo-, methyl ester
  • methyl (6ar,7s,10ar)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate
  • tetracenomycin c
CAS Number(s)
  • 71135-22-3
InChIKey ULHJWHCSSAEMLW-UEVCKROQSA-N
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