Methyl (1R,2R,4S)-2-Ethyl-2,4,5,7,9-Pentahydroxy-6,11-Dioxo-1,2,3,4,6,11-Hexahydro-1-Tetracenecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C22H20O9
IUPAC Name methyl (1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 428.389 g·mol−1
Heat of Formation -1460.0 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 454.2 Å 3
Surface Area 381.08 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-2-ethyl-2,4,5,7,9-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-2,4,5,7,9-pentahydroxy-6,11-dioxo-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • 2-hydroxyaklavinone
  • methyl (1r,2r,4s)-2-ethyl-2,4,5,7,9-pentahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
CAS Number(s)
  • 79008-78-9
InChIKey MGVHSHMUGGHITN-YOKWENHESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O