(2S,3S,4S,5R,6S)-6-(2,4-difluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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(2S,3S,4S,5R,6S)-6-(2,4-difluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
147299-91-0
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Formula:
C12H12F2O7
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Chemical Name:
(2S,3S,4S,5R,6S)-6-(2,4-difluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
147299-91-0;beta-D-Glucopyranosiduronic acid, 2,4-difluorophenyl;DTXSID90933090;2,4-Difluorophenyl beta-D-glucuronide;2,4-Difluorophenyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-(2,4-difluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
306.22 g/mol
306.05510904 g/mol
Computed Properties
Molecular Weight:306.22
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:306.05510904
Monoisotopic Mass:306.05510904
Topological Polar Surface Area:116
Heavy Atom Count:21
Complexity:383
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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