(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0a830cef33324689a48c0c66d9580403.png "(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
86321-28-0
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Formula:
C16H20O10
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
Dihydroferulic acid 4-O-glucuronide;86321-28-0;(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;CHEBI:174946;DTXSID901006707;ZINC5639637;J3.602.187J;Q59348129;4-(2-Carboxyethyl)-2-methoxyphenyl hexopyranosiduronic acid;3-Methoxy-4-(beta-D-glucopyranuronosyloxy)benzenepropionic acid;beta-D-Glucopyranosiduronic acid, 4-(2-carboxyethyl)-2-methoxyphenyl;(2S,3S,4S,5R,6S)-6-(4-(2-Carboxyethyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
372.32 g/mol
372.10564683 g/mol
Computed Properties
Molecular Weight:372.32
XLogP3:-0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:372.10564683
Monoisotopic Mass:372.10564683
Topological Polar Surface Area:163
Heavy Atom Count:26
Complexity:497
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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