Isoschaftoside

Base Information

• Chemical Name: Isoschaftoside
• CAS No.: 52012-29-0
• Molecular Formula: C26H28O14
• Molecular Weight: 564.49
• European Community (EC) Number: 826-197-0
• UNII: H27X8715V3
• DSSTox Substance ID: DTXSID301317293
• Nikkaji Number: J376.232G
• Wikidata: Q27145412
• ChEMBL ID: CHEMBL2437365
• Mol file: 52012-29-0.mol

Synonyms:isoschaftoside

Chemical Property of Isoschaftoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 935°Cat760mmHg
• PKA: 5.70±0.40(Predicted)
• Flash Point: 314.3°C
• PSA: 250.97000
• Density: 1.766g/cm³
• LogP: -1.75430
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 564.14790556
• Heavy Atom Count: 40
• Complexity: 938

Purity/Quality:

98%, ^*data from raw suppliers

Isoshaftoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O