Tauro-7,12-dihydroxycholanic acid

Base Information

• Chemical Name: Tauro-7,12-dihydroxycholanic acid
• CAS No.: 5571-91-5
• Molecular Formula: C26H45 N O6 S
• Molecular Weight: 499.7
• DSSTox Substance ID: DTXSID40971083
• Mol file: 5571-91-5.mol

Synonyms:tauro-7 alpha,12 alpha-dihydroxy-5 beta-cholanic acid;tauro-7,12-dihydroxycholanic acid

Chemical Property of Tauro-7,12-dihydroxycholanic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 135.80000
• Density: 1.216g/cm³
• LogP: 5.31840
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 499.29675933
• Heavy Atom Count: 34
• Complexity: 858

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCCC4)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C