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

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Properties Simple | Detailed

Formula C23H18O9
IUPAC Name methyl (1r,2s,4s,7e)-2-acetonyl-2,4,10-trihydroxy-5,8-dioxo-6-(oxomethylene)-7-prop-2-ynylidene-3,4-dihydro-1h-anthracene-1-carboxylate
Molecular Mass 438.384 g·mol−1
Heat of Formation -1480.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 469.36 Å 3
Surface Area 391.61 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-dioxo-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-6,11-dioxo-2-(2-oxopropyl)-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • methyl (1r,2s,4s)-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • sulfurmycinone
CAS Number(s)
  • 78173-88-3
InChIKey JHYVCDKCOPULDO-PIFXAOAFSA-N
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