5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid
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5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid
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CAS No:
1065272-10-7
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Formula:
C16H18O10
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Chemical Name:
5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid
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Synonyms:
Isoferulic acid 3-O-glucuronide;Isoferulic Acid 3-O-|A-D-Glucuronide;Isoferulic acid 4-glucuronide;DTXSID90678636;ZINC77301373;Q51617493;5-[(E)-2-Carboxyethenyl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid;(2S,3S,4S,5R,6S)-6-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid Basic Attributes
370.30812
370.09
DTXSID90678636
5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid Use and Manufacturing
Isoferulic Acid 3-O-β-D-Glucuronide is the glucuronide conjugate of Isoferulic Acid (H946180). Isoferulic Acid 3-O-β-D-Glucuronide is one of the circulating metabolites in human plasma after coffee consumption.
Computed Properties
Molecular Weight:370.31
XLogP3:-0.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:370.08999677
Monoisotopic Mass:370.08999677
Topological Polar Surface Area:163
Heavy Atom Count:26
Complexity:535
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(2-Carboxyethenyl)-2-Methoxyphenyl β-D-Glucopyranosiduronic Acid
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