Methyl (1R,2R)-2-Ethyl-2,5,7,12-Tetrahydroxy-4,6,11-Trioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C22H18O9
IUPAC Name methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
Molecular Mass 426.373 g·mol−1
Heat of Formation -1347.0 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 444.37 Å 3
Surface Area 373.26 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-triketo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
  • (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-4,6,11-trioxo-, methyl ester, (1r-trans)-
  • maggiemycin
  • methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
CAS Number(s)
  • 81341-47-1
InChIKey FCUPTGDGQULLKX-KSFYIVLOSA-N
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