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

Molecule SVG Image

Properties Simple | Detailed

Formula C23H20O9
IUPAC Name methyl (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
Molecular Mass 440.400 g·mol−1
Heat of Formation -1480.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 469.36 Å 3
Surface Area 391.61 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-diketo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid methyl ester
  • 1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-, methyl ester, (1r-(1alpha,2beta,4beta))-
  • methyl (1r,2s,4s)-2,4,5,7-tetrahydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate
  • methyl (1r,2s,4s)-2-acetonyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate
  • sulfurmycinone
CAS Number(s)
  • 78173-88-3
InChIKey JHYVCDKCOPULDO-PIFXAOAFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O