(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f504476b2969495ba66241afd8e78795.png "(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
84559-06-8
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Formula:
C13H12ClF3O7
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
84559-06-8;DTXSID101004838;2-Chloro-5-(trifluoromethyl)phenyl hexopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 2-chloro-5-(trifluoromethyl)phenyl
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CAS No:
(2S,3S,4S,5R,6S)-6-[2-chloro-5-(trifluoromethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
372.68 g/mol
372.0223649 g/mol
Computed Properties
Molecular Weight:372.68
XLogP3:1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:372.0223649
Monoisotopic Mass:372.0223649
Topological Polar Surface Area:116
Heavy Atom Count:24
Complexity:463
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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