Sibirate

Base Information

• Chemical Name: Sibirate
• CAS No.: 152338-47-1
• Molecular Formula: C16H22 O9
• Molecular Weight: 358.34
• Nikkaji Number: J2.810.799D
• Wikidata: Q104988835
• Mol file: 152338-47-1.mol

Synonyms:glucityl ferulate;sibirate

Chemical Property of Sibirate

Chemical Property:

• Vapor Pressure: 1.18E-20mmHg at 25°C
• Boiling Point: 701.5°Cat760mmHg
• PKA: 9.73±0.31(Predicted)
• Flash Point: 255.7°C
• PSA: 156.91000
• Density: 1.466g/cm³
• LogP: -1.60690
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 358.12638228
• Heavy Atom Count: 25
• Complexity: 428

Purity/Quality:

SIBIRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)OCC(C(C(C(CO)O)O)O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O