Conagenin

Base Information

• Chemical Name: Conagenin
• CAS No.: 134381-30-9
• Molecular Formula: C10H19 N O6
• Molecular Weight: 249.26
• DSSTox Substance ID: DTXSID601213565
• Nikkaji Number: J387.984D
• Wikidata: Q105010863
• Metabolomics Workbench ID: 98611
• Mol file: 134381-30-9.mol

Synonyms:conagenin;N-(2,4-dihydroxy-3-methylpentanoyl)-2-methylserine

Chemical Property of Conagenin

Chemical Property:

• Vapor Pressure: 1.37E-16mmHg at 25°C
• Boiling Point: 594.1°Cat760mmHg
• Flash Point: 313.1°C
• PSA: 130.58000
• Density: 1.326g/cm³
• LogP: -0.84370
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 249.12123733
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

CONAGENIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)O)C(C(=O)NC(C)(CO)C(=O)O)O
• Isomeric SMILES: C[C@@H]([C@@H](C)O)[C@H](C(=O)N[C@@](C)(CO)C(=O)O)O