(3S,6E,8S,9S,10R)-8,9-Dihydroxy-2-Oxo-10-Propyl-3,4,5,8,9,10-Hexahydro-2H-Oxecin-3-Yl (2E,4E)-2,4-Hexadienoate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H26O6
IUPAC Name [(2r,3s,4s,5e,9s)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2e,4e)-hexa-2,4-dienoate
Molecular Mass 338.395 g·mol−1
Heat of Formation -1037.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 414.66 Å 3
Surface Area 362.26 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-hexa-2,4-dienoic acid [(3s,6e,8s,9s,10r)-8,9-dihydroxy-2-keto-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl] ester
  • (2e,4e)-hexa-2,4-dienoic acid [(3s,6e,8s,9s,10r)-8,9-dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl] ester
  • [(3s,6e,8s,9s,10r)-8,9-dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl] (2e,4e)-hexa-2,4-dienoate
InChIKey TXPRZPDVUZCNLB-PREDPWABSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O