Methyl (1R,2R)-2-Ethyl-2,5,7-Trihydroxy-4,6,11-Trioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C22H18O8
IUPAC Name methyl (1r,2r)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
Molecular Mass 410.374 g·mol−1
Heat of Formation -1186.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 438.35 Å 3
Surface Area 370.59 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-2-ethyl-2,5,7-trihydroxy-4,6,11-triketo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
  • (1r,2r)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-, methyl ester, (1r-trans)-
  • aklaviketone
  • methyl (1r,2r)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
  • s 383-y
  • s-383-y
CAS Number(s)
  • 116235-59-7
InChIKey MHAXMIHGEZOCTQ-HTAPYJJXSA-N
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