Formula |
C23H29IO5 |
IUPAC Name |
(z)-7-[(1s,2r,3r,4r)-3-[(e,3r)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid |
Molecular Mass |
510.378 g·mol−1 |
Heat of Formation |
-695.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.68 ± 1.08 D |
Volume |
533.8 Å 3 |
Surface Area |
473.69 Å 2 |
HOMO Energy |
-8.65 ± 0.55 eV |
LUMO Energy |
2.72 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-heptenoic acid, 7-(3-(3-hydroxy-4-(4-(iodo-125i)phenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (1s-(1alpha,2alpha(z),3beta(1e,3s*),4alpha))-
- 7-(3-(3-hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5-heptenoic acid
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CAS Number(s) |
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InChIKey |
UYFMSCHBODMWON-GEUMQUDLSA-N |
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