(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/560c51feeacb427e8fa03f1f333bdb62.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid
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CAS No:
90433-37-7
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Formula:
C16H20O9
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid
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Synonyms:
90433-37-7;DTXSID10920386;beta-D-Glucopyranosiduronic acid, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl;3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]oxane-2-carboxylic acid Basic Attributes
356.32 g/mol
356.11073221 g/mol
Computed Properties
Molecular Weight:356.32
XLogP3:-0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:356.11073221
Monoisotopic Mass:356.11073221
Topological Polar Surface Area:146
Heavy Atom Count:25
Complexity:510
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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