AC1L43WI

(2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)-N-acetylanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: N-Hydroxy-N,N'-diacetylbenzidine glucuronide|1-(Acetyl(4'-(acetylamino)(1,1'-biphenyl)-4-yl)amino)-1-deoxy-beta-D-glucopyranuronic acid|beta-D-Glucopyranuronic acid, 1-(acetyl(4'-(acetylamino)(1,1'-biphenyl)-4-yl)amino)-1-deoxy-|N-Acetyl-N-{4'-[(1-hydroxyethylidene)amino][1,1'-biphenyl]-4-yl}hexopyranuronosylamine|(2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)-N-acetylanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid|N-Acetyl-N-{4'-[(1-hydroxyethylidene)amino][1,1'-biphenyl]-4-yl}-beta-D-glucopyranuronosylamine

Molecular Formula	C22H24N2O8
Molecular Weight	444.15326 g/mol
LogP	0.2
Topological Polar Surface Area	157.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	444.15326
Monoisotopic Mass	444.15326
Heavy Atoms	32
Complexity	687.0

Chemical Identifiers

CAS Number	89014-15-3
SMILES	CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)C
InChIKey	WRWFMLKNZMWFOF-JRSUCEMESA-N