Silybin dihemisuccinate

Base Information

• Chemical Name: Silybin dihemisuccinate
• CAS No.: 34482-56-9
• Molecular Formula: C33H30 O16
• Molecular Weight: 682.592
• UNII: 53N75P67NW
• Wikidata: Q27261117
• Mol file: 34482-56-9.mol

Synonyms:silybin dihemisuccinate

Chemical Property of Silybin dihemisuccinate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.687
• Boiling Point: 961.2°Cat760mmHg
• PKA: 4.23±0.17(Predicted)
• Flash Point: 307.7°C
• PSA: 241.88000
• Density: 1.62g/cm³
• LogP: 3.19410
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 682.15338487
• Heavy Atom Count: 49
• Complexity: 1210

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)CCC(=O)O)COC(=O)CCC(=O)O)O
• Isomeric SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)CCC(=O)O)COC(=O)CCC(=O)O)O