(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/303fba80a388488bb3037d17adc5e00d.png "(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
70988-93-1
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Formula:
C16H18O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
70988-93-1;DTXSID30991290;beta-D-Glucopyranosiduronic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl;2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[(2,2-dimethyl-3-oxo-1-benzofuran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
354.31 g/mol
354.09508215 g/mol
Computed Properties
Molecular Weight:354.31
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:354.09508215
Monoisotopic Mass:354.09508215
Topological Polar Surface Area:143
Heavy Atom Count:25
Complexity:548
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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