4-{(1R,2R)-2-[(1E,3E,5Z,7E,9S)-9-Hydroxy-1,3,5,7-Tetradecatetraen-1-Yl]Cyclopropyl}Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 4-[(1r,2r)-2-[(1e,3e,5z,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
Molecular Mass 332.477 g·mol−1
Heat of Formation -480.5 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 475.36 Å 3
Surface Area 439.98 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,2r)-2-[(1e,3e,5z,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butanoic acid
  • 4-[(1r,2r)-2-[(1e,3e,5z,7e,9s)-9-hydroxytetradeca-1,3,5,7-tetraenyl]cyclopropyl]butyric acid
  • 5,6-methano-15-hydroxy-7,9,11,13-eicosatetraenoic acid
  • mt-hete
CAS Number(s)
  • 111037-11-7
InChIKey HTCSKVNUTLDPJF-XZZKBPRTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O