(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
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![(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bbbc35ac000a4c03beab3bf8a8880fe3.png "(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid")
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
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CAS No:
124924-85-2
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Formula:
C23H29IO5
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Chemical Name:
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
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Synonyms:
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 No:
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodanylphenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid Basic Attributes
510.37800
510.10613
Drug Information
7-(3-(3-hydroxy-4-(4'-iodophenoxy)-1-butenyl)-7-oxabicyclo(2.2.1)heptan-2-yl)-5'-heptenoic acid
Computed Properties
Molecular Weight:510.4
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:510.10613
Monoisotopic Mass:510.10613
Topological Polar Surface Area:76
Heavy Atom Count:29
Complexity:570
Isotope Atom Count:1
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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