6-Hydroxy-5-methoxyindole glucuronide

Base Information

• Chemical Name: 6-Hydroxy-5-methoxyindole glucuronide
• CAS No.: 77463-72-0
• Molecular Formula: C15H17 N O8
• Molecular Weight: 339.3
• DSSTox Substance ID: DTXSID30228174
• Wikidata: Q76084747
• Metabolomics Workbench ID: 40911
• Mol file: 77463-72-0.mol

Synonyms:6-H-5-MIG;6-hydroxy-5-methoxyindole glucuronide

Chemical Property of 6-Hydroxy-5-methoxyindole glucuronide

Chemical Property:

• Vapor Pressure: 8E-19mmHg at 25°C
• Boiling Point: 669.2°C at 760 mmHg
• PKA: 2.77±0.70(Predicted)
• Flash Point: 358.5°C
• PSA: 141.47000
• Density: 1.642g/cm³
• LogP: -0.55250
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 339.09541650
• Heavy Atom Count: 24
• Complexity: 463

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: COC1=C(C=C2C(=C1)C=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
• Uses: 5-Methoxyindol-6-yl D-glucosiduronic Acid is a Metabolite Biomarker used in the treatment of Alzheimer''s disease.

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