5-Hydroxy-6-methoxyindole glucuronide

Base Information

• Chemical Name: 5-Hydroxy-6-methoxyindole glucuronide
• CAS No.: 77463-71-9
• Molecular Formula: C15H17 N O8
• Molecular Weight: 339.3
• DSSTox Substance ID: DTXSID70228173
• Wikidata: Q76084742
• Metabolomics Workbench ID: 40912
• Mol file: 77463-71-9.mol

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

Chemical Property of 5-Hydroxy-6-methoxyindole glucuronide

Chemical Property:

• Vapor Pressure: 8E-19mmHg at 25°C
• Boiling Point: 669.2°C at 760 mmHg
• 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:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C=CNC2=C1)OC3C(C(C(C(O3)C(=O)O)O)O)O
• Isomeric SMILES: COC1=C(C=C2C=CNC2=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

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