3,10,12-Trihydroxy-8-Methoxy-1-Methyl-6,11-Dioxo-6,11-Dihydro-2-Tetracenecarboxylic Acid

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Properties Simple | Detailed

Formula C21H14O8
IUPAC Name 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-tetracene-2-carboxylic acid
Molecular Mass 394.331 g·mol−1
Heat of Formation -1161.7 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 403.54 Å 3
Surface Area 355.82 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-naphthacenecarboxylic acid, 6,11-dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-
  • 3,10,12-trihydroxy-6,11-diketo-8-methoxy-1-methyl-tetracene-2-carboxylic acid
  • 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-2-tetracenecarboxylic acid
  • 3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
  • tetracenomycin b(3)
  • tetracenomycin b3
CAS Number(s)
  • 117241-62-0
InChIKey NSKLWYCTXNPUBB-UHFFFAOYSA-N
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