Dihydroferulic acid 4-O-glucuronide

(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Dihydroferulic acid 4-O-glucuronide|Dihydro Ferulic Acid 4-O-beta-D-Glucuronide|(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|Dihydroferulic Acid 4-O-Glucuronide Lithium|J3.602.187J|4-(2-carboxyethyl)-2-methoxyphenyl beta-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, 4-(2-carboxyethyl)-2-methoxyphenyl|Dihydro Ferulic Acid 4-O-|A-D-Glucuronide Dilithium Salt|3-Methoxy-4-(beta-D-glucopyranuronosyloxy)benzenepropionic acid|4-(2-Carboxyethyl)-2-methoxyphenyl |A-D-Glucopyranosiduronic Acid Lithium|(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-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-(4-(2-Carboxyethyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylicacid|(2S,3S,4S,5R,6S)-6-[4-(2-carboxyethyl)-2-methoxy-phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic Acid

Molecular Formula	C16H20O10
Molecular Weight	372.10565 g/mol
LogP	-0.3
Topological Polar Surface Area	163.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	372.10565
Monoisotopic Mass	372.10565
Heavy Atoms	26
Complexity	497.0

Chemical Identifiers

CAS Number	86321-28-0
SMILES	COC1=C(C=CC(=C1)CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChIKey	KYERCTIKYSSKPA-JHZZJYKESA-N