Koaburaside

Base Information

• Chemical Name: Koaburaside
• CAS No.: 41653-73-0
• Molecular Formula: C14H20O9
• Molecular Weight: 332.3
• UNII: J8R952KQV3
• DSSTox Substance ID: DTXSID301045650
• Nikkaji Number: J815.269A
• Wikipedia: Koaburaside
• Wikidata: Q15426244
• Metabolomics Workbench ID: 141163
• ChEMBL ID: CHEMBL513117
• Mol file: 41653-73-0.mol

Synonyms:koaburaside

Chemical Property of Koaburaside

Chemical Property:

• PSA: 138.07000
• LogP: -1.41190
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 332.11073221
• Heavy Atom Count: 23
• Complexity: 354

Purity/Quality:

98%min ^*data from raw suppliers

Koaburaside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O