(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-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-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d806900302184b2fac981ae757af973d.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
structure -
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CAS No:
90047-67-9
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Formula:
C21H21Cl3O9
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
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Synonyms:
90047-67-9;DTXSID001009116;beta-D-Glucopyranosiduronic acid, 2-hydroxy-4-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)phenyl;2-Hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid Basic Attributes
523.7 g/mol
522.025115 g/mol
Computed Properties
Molecular Weight:523.7
XLogP3:3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:522.025115
Monoisotopic Mass:522.025115
Topological Polar Surface Area:146
Heavy Atom Count:33
Complexity:655
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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