Benzoyl glucuronide

(2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Benzoyl glucuronide|Benzoyl-glucuronide|Benzoyl-acyl-b-D-glucuronide|Benzoic Acid Acyl-b-D-glucuronide|BENZOIC ACID GLUCURONIDE|Benzoyl glucuronide (Benzoic acid)|E210-acyl-b-D-glucuronide|1-O-Benzoylhexopyranuronic acid|Benzoic Acid Acyl-beta-D-glucuronide|BENZOYL-.BETA.-D-GLUCURONIDE|BENZOIC ACID-ACYL-B-D-GLUCURONIDE|beta-D-Glucopyranuronic acid, 1-benzoate|A-d-glucopyranuronic acid, 1-benzoate|Benzoyl beta-D-glucopyranosiduronic acid|1-O-Benzoyl-beta-D-glucopyranuronic acid|BENZOIC ACID .BETA.-D-GLUCURONIDE|(2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid|.BETA.-D-GLUCOPYRANURONIC ACID, 1-BENZOATE|GLUCOPYRANURONIC ACID, 1-BENZOATE, .BETA.-D-|(2S,3S,4S,5R,6S)-6-(benzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-(benzoyloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|(2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid|Benzoic Acid Acyl-ss-D-glucuronide; Glucopyranuronic Acid 1-Benzoate; ss-D-Glucopyranuronic Acid 1-Benzoate; Benzoic Acid glucuronide; Benzoic Acid ss-D-glucuronide; Benzoyl Glucuronide; Benzoyl-ss-D-glucuronide

Molecular Formula	C13H14O8
Molecular Weight	298.06888 g/mol
LogP	-1.26
Topological Polar Surface Area	133.52 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	298.06888
Heavy Atoms	21
Complexity	516.2

Chemical Identifiers

CAS Number	19237-53-7
SMILES	C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O