Columbianetin glucopyranoside

Base Information

• Chemical Name: Columbianetin glucopyranoside
• CAS No.: 55836-35-6
• Molecular Formula: C20H24 O9
• Molecular Weight: 408.4
• DSSTox Substance ID: DTXSID40204429
• Nikkaji Number: J112.680F
• Wikidata: Q83077868
• Mol file: 55836-35-6.mol

Synonyms:columbianetin glucopyranoside;columbianetin-beta-D-glucopyranoside

Chemical Property of Columbianetin glucopyranoside

Chemical Property:

• Vapor Pressure: 1.42E-18mmHg at 25°C
• Boiling Point: 664.7°Cat760mmHg
• Flash Point: 236.6°C
• PSA: 138.82000
• Density: 1.51g/cm³
• LogP: -0.30840
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 408.14203234
• Heavy Atom Count: 29
• Complexity: 650

Purity/Quality:

99% ^*data from raw suppliers

Columbianetinbeta-D-glucopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O