N-Methyl-N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycine

Base Information

• Chemical Name: N-Methyl-N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycine
• CAS No.: 93790-70-6
• Molecular Formula: C27H45 N O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50917952
• Mol file: 93790-70-6.mol

Synonyms:DTXSID50917952;93790-70-6;N-Methyl-N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycine

Chemical Property of N-Methyl-N-(3,7,12-trihydroxy-24-oxocholan-24-yl)glycine

Chemical Property:

• Vapor Pressure: 2.81E-20mmHg at 25°C
• Boiling Point: 660.9°Cat760mmHg
• Flash Point: 353.5°C
• PSA: 118.30000
• Density: 1.202g/cm³
• LogP: 2.90710
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 479.32468816
• Heavy Atom Count: 34
• Complexity: 789

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)N(C)CC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C