6-O-Galloylarbutin

Base Information

• Chemical Name: 6-O-Galloylarbutin
• CAS No.: 5991-00-4
• Molecular Formula: C₁₉H₂₀O₁₁
• Molecular Weight: 424.361
• DSSTox Substance ID: DTXSID10975331
• Nikkaji Number: J107.374E
• Wikidata: Q82959851
• Mol file: 5991-00-4.mol

Synonyms:6-O-galloyl arbutin;6-O-galloylarbutin

Chemical Property of 6-O-Galloylarbutin

Chemical Property:

• Vapor Pressure: 1.37E-27mmHg at 25°C
• Boiling Point: 808.2°C at 760 mmHg
• Flash Point: 289.1°C
• PSA: 186.37000
• Density: 1.664g/cm³
• LogP: -0.44760
• XLogP3: 0
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 424.10056145
• Heavy Atom Count: 30
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

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