2-(2'-Hydroxytetracosanoylamino)-octadecane-1,3,4-triol, (2S,3S,4R,2'R)-

Base Information

• Chemical Name: 2-(2'-Hydroxytetracosanoylamino)-octadecane-1,3,4-triol, (2S,3S,4R,2'R)-
• CAS No.: 154801-30-6
• Molecular Formula: C42H85 N O5
• Molecular Weight: 684.12800
• UNII: WCK3J2NNE4
• DSSTox Substance ID: DTXSID701152146
• Nikkaji Number: J1.704.820A
• Wikidata: Q105374767
• Metabolomics Workbench ID: 77141
• Mol file: 154801-30-6.mol

Synonyms:elasticamide

Chemical Property of 2-(2'-Hydroxytetracosanoylamino)-octadecane-1,3,4-triol, (2S,3S,4R,2'R)-

Chemical Property:

• Melting Point: 140-142 °C
• Boiling Point: 799.3±60.0 °C(Predicted)
• PKA: 13.26±0.20(Predicted)
• PSA: 110.02000
• Density: 0.951±0.06 g/cm3(Predicted)
• LogP: 11.24030
• Storage Temp.: 2-8°C
• XLogP3: 15.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 39
• Exact Mass: 683.64277481
• Heavy Atom Count: 48
• Complexity: 648

Purity/Quality:

98% ^*data from raw suppliers

2-(2'-Hydroxytetracosanoylamino)-Octadecane-1,3,4-Triol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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