5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
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![5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4736200df8ad4089b9a70b597be48277.png "5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid")
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
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CAS No:
1093679-73-2
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Formula:
C15H16O10
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Chemical Name:
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,5-[(1E)-2-carboxyethenyl]-2-hydroxyphenyl;5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
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CAS No:
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid Basic Attributes
356.28154
356.28
DTXSID70648958
5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid Use and Manufacturing
A metabolite of Caffeic acid.
Computed Properties
Molecular Weight:356.28
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:356.07434670
Monoisotopic Mass:356.07434670
Topological Polar Surface Area:174
Heavy Atom Count:25
Complexity:520
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
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