(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6177f25cf38a4681aeeb4ec247efd62c.png "(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
102623-15-4
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Formula:
C19H22Cl2O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
Ciprofibrate glucuronide;102623-15-4;Ciprofibrate-O-beta-D-glucuronide;DTXSID30907957;(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;1-O-{2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoyl}hexopyranuronic acid;beta-D-Glucopyranuronic acid, 1-(2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoate)
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CAS No:
(2S,3S,4S,5R,6S)-6-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
465.3 g/mol
464.0640877 g/mol
Computed Properties
Molecular Weight:465.3
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:464.0640877
Monoisotopic Mass:464.0640877
Topological Polar Surface Area:143
Heavy Atom Count:30
Complexity:662
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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