(5Z)-7-{(1S,3R,4S,5S)-3-[(1E,3S,5E)-3-Hydroxy-1,5-Octadien-1-Yl]-2,6-Dioxabicyclo[3.1.1]Hept-4-Yl}-5-Heptenoic Acid
Properties
Property | Value |
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Formula | C20H30O5 |
IUPAC Name | (z)-7-[(1s,3r,4s,5s)-3-[(1e,3s,5e)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid |
Molecular Mass | 350.449 g·mol−1 |
Heat of Formation | -828.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.90 ± 1.08 D |
Volume | 451.6 Å 3 |
Surface Area | 334.83 Å 2 |
HOMO Energy | -9.53 ± 0.55 eV |
LUMO Energy | 0.67 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | NMZKLLJQNNTBRJ-GIGDAOFJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |