X-glucuronide
(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Also Known As: X-glucuronide|X-Gluc|X-Gluc cyclohexanamine|X-GlcA|X-Gluc (cyclohexanamine)|XGLUC Cyclohexylammonium Salt|X-GLUC; CYCLOHEXYLAMINE|KS-00000XXJ|5-BROMO-4-CHLORO-3-INDOLYL B-D-|HY-15935B|CB-1346|Cyclohexanamine (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate|5-BROMO-4-CHLORO-3-INDOLYLB-D-|beta-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, compd. with cyclohexanamine (1:1)|X-GLUCURONIDE ULT-PR GRD AMB BTL 5MG|A-8326|B-7300|5-Bromo-4-chloro-3-indolyl beta-D-glucuronide cyclohexylammonium salt|5-Bromo-4-chloro-3-indolyl-ss-D-glucuronic acid|541B419|5-BROMO-4-CHLORO-3-INDOLYLB-D-GLUCURONID E|5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt|5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
| Molecular Formula | C20H26BrClN2O7 |
|---|---|
| Molecular Weight | 520.0612 g/mol |
| LogP | 2.1326 |
| Topological Polar Surface Area | 158.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 520.0612 |
| Monoisotopic Mass | 520.0612 |
| Heavy Atoms | 31 |
| Complexity | 905.0258 |
Chemical Identifiers
| CAS Number | 18656-96-7 |
|---|---|
| SMILES | C1CCC(CC1)N.C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br |
Product Overview
X-glucuronide (CAS 18656-96-7), with molecular formula C20H26BrClN2O7 and molecular weight 520.0612 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine.