5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid
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5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid
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CAS No:
1187945-71-6
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Formula:
C15H18O10
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Chemical Name:
5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid
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Synonyms:
Dihydrocaffeic acid 3-O-glucuronide;Dihydro Caffeic Acid 3-O-|A-D-Glucuronide;DTXSID50678637;ZINC77291524;Dihydrocaffeic acid 3"-O-beta-D-glucuronide;5-(2-Carboxyethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acid;(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid Basic Attributes
358.29742
358.09
DTXSID50678637
5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid Use and Manufacturing
Dihydro Caffeic Acid 3-O-β-D-Glucuronide is a glucuronide metabolite of Caffeic Acid (C080000).
Computed Properties
Molecular Weight:358.30
XLogP3:-0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:358.08999677
Monoisotopic Mass:358.08999677
Topological Polar Surface Area:174
Heavy Atom Count:25
Complexity:483
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(2-Carboxyethyl)-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid
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