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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H20O8
IUPAC Name methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 412.389 g·mol−1
Heat of Formation -1266.3 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 440.6 Å 3
Surface Area 370.75 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-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-tetrahydroxy-6,11-dioxo-, methyl ester, (1r,2r,4s)- (8ci)
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1r,2r,4s)- (8ci,9ci)
  • 1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, [1r-(1alpha,2beta,4beta)]-
  • aclavinone
  • aklavinon
  • aklavinone
  • aklavinone (6ci,7ci)
  • antibiotic ma 144d1
  • methyl (1r,2r,4s)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
CAS Number(s)
  • 16234-96-1
InChIKey RACGRCLGVYXIAO-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