(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylic acid

Base Information

• Chemical Name: (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylic acid
• CAS No.: 14683-61-5
• Molecular Formula: C15H15 N O7
• Molecular Weight: 321.31
• European Community (EC) Number: 238-724-6
• Mol file: 14683-61-5.mol

Synonyms:8-HQG;8-hydroxy-quinolyl-glucuronide;8-hydroxyquinoline glucuronide;8-hydroxyquinoline-beta-D-glucuronide;8-hydroxyquinolyl glucoronide;8-OHQ-GlcA

Chemical Property of (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(quinolin-8-yloxy)tetrahydro-2H-pyran-2-carboxylic acid

Chemical Property:

• Appearance/Colour: powder light green
• Vapor Pressure: 2.98E-17mmHg at 25°C
• Boiling Point: 639.9°Cat760mmHg
• PKA: 2.66±0.70(Predicted)
• Flash Point: 340.8°C
• PSA: 129.34000
• Density: 1.626g/cm³
• LogP: -0.49420
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 321.08485182
• Heavy Atom Count: 23
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

8-Hydroxyquinoline-b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)C(=O)O)O)O)O)N=CC=C2
• Isomeric SMILES: C1=CC2=C(C(=C1)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=CC=C2