beta-D-Glucopyranosiduronic acid, 4,4'-bis(acetylamino)(1,1'-biphenyl)-3-yl
(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 3-Hydroxy-N,N'-diacetylbenzidine glucuronide|beta-d-glucopyranosiduronicacid,4,4'-bis -3-yl|beta-D-Glucopyranosiduronicacid,4,4'-bis -3-yl|beta-D-Glucopyranosiduronic acid, 4,4'-bis(acetylamino)(1,1'-biphenyl)-3-yl|4,4'-Bis[(1-hydroxyethylidene)amino][1,1'-biphenyl]-3-yl beta-D-glucopyranosiduronic acid|4,4'-Bis[(1-hydroxyethylidene)amino][1,1'-biphenyl]-3-yl hexopyranosiduronic acid|(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C22H24N2O9 |
|---|---|
| Molecular Weight | 460.1482 g/mol |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.1482 |
| Monoisotopic Mass | 460.1482 |
| Heavy Atoms | 33 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 85559-84-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | MPJJSEHOPYUSQR-SXFAUFNYSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 4,4'-bis(acetylamino)(1,1'-biphenyl)-3-yl (CAS 85559-84-8), with molecular formula C22H24N2O9 and molecular weight 460.1482 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.