Bis((9R)-9-hydroxy-6'-methoxycinchonanium) sulphate

Base Information

• Chemical Name: Bis((9R)-9-hydroxy-6'-methoxycinchonanium) sulphate
• CAS No.: 62409-09-0
• Molecular Formula: 2C₂₀H₂₄N₂O₂*H₂O₄S
• Molecular Weight: 746.925
• European Community (EC) Number: 263-536-6
• Mol file: 62409-09-0.mol

Synonyms:EINECS 263-536-6;62409-09-0;Bis((9R)-9-hydroxy-6'-methoxycinchonanium) sulphate;Bis[(9R)-9-hydroxy-6'-methoxycinchonanium] sulphate;C20H24N2O2.1/2H2O4S;C20-H24-N2-O2.1/2H2-O4-S;Bis[(9R)-9-hydroxy-6'-methoxycinchonanium]sulphate

Chemical Property of Bis((9R)-9-hydroxy-6'-methoxycinchonanium) sulphate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 746.33493574
• Heavy Atom Count: 53
• Complexity: 519

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=C[NH+]=C2C=C1)C(C3CC4CCN3CC4C=C)O.[O-]S(=O)(=O)[O-]
• Isomeric SMILES: COC1=CC2=C(C=C[NH+]=C2C=C1)[C@H](C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=C[NH+]=C2C=C1)[C@H](C3CC4CCN3CC4C=C)O.[O-]S(=O)(=O)[O-]