Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium salt

Base Information

• Chemical Name: Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium salt
• CAS No.: 66874-12-2
• Molecular Formula: C26H43NNa2O9S2
• Molecular Weight: 0
• Mol file: 66874-12-2.mol

Synonyms:taurochenodeoxycholate-7-sulfate;TCDC-7-S

Chemical Property of Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium salt

Chemical Property:

• PSA: 193.21000
• LogP: 5.75620
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 623.21746286
• Heavy Atom Count: 40
• Complexity: 1060

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]
• Isomeric SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]

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