Hexaglycerol tristearate

Base Information

• Chemical Name: Hexaglycerol tristearate
• CAS No.: 71185-87-0
• Molecular Formula: C48H90O17
• Molecular Weight: 1134.89
• DSSTox Substance ID: DTXSID101015132
• Mol file: 71185-87-0.mol

Synonyms:Hexaglycerol tristearate;Hexaglyceryl tristearate;71185-87-0;[(2R)-3-[(2S)-3-[(2S)-2-butanoyloxy-3-[(2R)-2-hydroxy-3-[(2S)-3-[(2R)-3-hydroxy-2-pentanoyloxypropoxy]-2-propanoyloxypropoxy]propoxy]propoxy]-2-hydroxypropoxy]-2-hydroxypropyl] octadecanoate;Octadecanoic acid, triester with hexaglycerol;DTXSID101015132

Chemical Property of Hexaglycerol tristearate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 887.7°C at 760 mmHg
• Flash Point: 236.2°C
• PSA: 232.27000
• Density: 1.093g/cm³
• LogP: 6.08480
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 52
• Exact Mass: 938.61780140
• Heavy Atom Count: 65
• Complexity: 1130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(CO)OC(=O)CCCC)OC(=O)CC)O)OC(=O)CCC)O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](COC[C@@H](CO)OC(=O)CCCC)OC(=O)CC)O)OC(=O)CCC)O)O