Salicortin

Base Information

• Chemical Name: Salicortin
• CAS No.: 29836-41-7
• Deprecated CAS: 11016-74-3
• Molecular Formula: C20H24 O10
• Molecular Weight: 424.405
• UNII: YI29948E0Q
• DSSTox Substance ID: DTXSID70952264
• Nikkaji Number: J20.795K
• Mol file: 29836-41-7.mol

Synonyms:2',6'-O-acetylsalicortin;salicortin

Chemical Property of Salicortin

Chemical Property:

• Vapor Pressure: 1.4E-18mmHg at 25°C
• Boiling Point: 664.8°Cat760mmHg
• Flash Point: 233.9°C
• PSA: 162.98000
• Density: 1.531g/cm³
• LogP: -1.44130
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 424.13694696
• Heavy Atom Count: 30
• Complexity: 652

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O
• Isomeric SMILES: C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O