Formula |
C21H34O3S |
IUPAC Name |
(z)-7-[(1s,3r,4r,5s)-3-[(e,3r)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid |
Molecular Mass |
366.558 g·mol−1 |
Heat of Formation |
-646.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.29 ± 1.08 D |
Volume |
486.67 Å 3 |
Surface Area |
392.06 Å 2 |
HOMO Energy |
-8.53 ± 0.55 eV |
LUMO Energy |
-0.17 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (z)-7-[(1s,2r,3r,5s)-3-[(e,3r)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
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InChIKey |
OVGWMUWIRHGGJP-WVDJAODQSA-N |
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Links |
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Elements |
H
S
C
O
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