(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/249c4be98d9b488789d95b37c33a6312.png "(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
79639-27-3
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Formula:
C21H22Cl2O8
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
79639-27-3;DTXSID401000635;beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethyl)phenyl;4-[2,2-Dichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[4-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
473.3 g/mol
472.0691730 g/mol
Computed Properties
Molecular Weight:473.3
XLogP3:3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:472.0691730
Monoisotopic Mass:472.0691730
Topological Polar Surface Area:126
Heavy Atom Count:31
Complexity:578
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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