1-O-(2-(((2-Ethylhexyl)oxy)carbonyl)benzoyl)hexopyranuronic acid

(2S,3S,4S,5R,6S)-6-[2-(2-ethylhexoxycarbonyl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Mono-2-ethylhexyl phthalate glucuronide|J1.360.798B|(2S,3S,4S,5R,6S)-6-[2-(2-ethylhexoxycarbonyl)benzoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic Acid|(2S,3S,4S,5R,6S)-6-[2-(2-ethylhexoxycarbonyl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|1-o-(2-{[(2-ethylhexyl)oxy]carbonyl}benzoyl)-|A-d-glucopyranuronic acid|beta-D-Glucopyranuronic acid, 1-(2-ethylhexyl 1,2-benzenedicaboxylate)|1-O-(2-(((2-Ethylhexyl)oxy)carbonyl)benzoyl)hexopyranuronic acid|1-O-(2-{[(2-Ethylhexyl)oxy]carbonyl}benzoyl)hexopyranuronic acid|1-O-(2-{[(2-ethylhexyl)oxy]carbonyl}benzoyl)-beta-D-glucopyranuronic acid|2-[(2-Ethylhexyloxy)carbonyl]benzoyl beta-D-glucopyranosiduronic acid|(2S,3S,4S,5R,6S)-6-(2-{[(2-ETHYLHEXYL)OXY]CARBONYL}BENZOYLOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Molecular Formula	C22H30O10
Molecular Weight	454.1839 g/mol
LogP	2.9
Topological Polar Surface Area	160.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	454.1839
Monoisotopic Mass	454.1839
Heavy Atoms	32
Complexity	638.0

Chemical Identifiers

CAS Number	6622-41-9
SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChIKey	UDJLVIABEVCMKC-OUTMRZRFSA-N