Methyl (1R,2R,4S)-2,4,5,7-Tetrahydroxy-2-Methyl-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C21H18O8
IUPAC Name methyl (1r,2r,4s)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 398.363 g·mol−1
Heat of Formation -1246.5 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 422.14 Å 3
Surface Area 356.86 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-2,4,5,7-tetrahydroxy-6,11-diketo-2-methyl-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • methyl (1r,2r,4s)-2,4,5,7-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
InChIKey WCKNDRCJQZCZLO-LBJGKRIESA-N
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