(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2fda14ff7fe04deaaa30ba2d8c61efaf.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
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CAS No:
90047-64-6
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Formula:
C21H21Cl3O8
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
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Synonyms:
90047-64-6;DTXSID901009113;4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl beta-D-glucopyranosiduronic acid;4-[2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid Basic Attributes
507.7 g/mol
506.030201 g/mol
Computed Properties
Molecular Weight:507.7
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:506.030201
Monoisotopic Mass:506.030201
Topological Polar Surface Area:126
Heavy Atom Count:32
Complexity:617
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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