Methyl (1R,2R,4S)-2-Ethyl-2,4,5,7,12-Pentahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

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Properties Simple | Detailed

Formula C22H20O9
IUPAC Name methyl (1r,2r,4s)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 428.389 g·mol−1
Heat of Formation -1443.8 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 450.35 Å 3
Surface Area 375.16 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7,12-pentahydroxy-6,11-dioxo-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • epsilon-rhodomycinone
  • methyl (1r,2r,4s)-2-ethyl-2,4,5,7,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • rhodomycinone
CAS Number(s)
  • 21288-60-8
  • 132677-57-7
InChIKey PYFOXRACBORDCT-GOSXWKPOSA-N
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