2,2-Bis(hydroxymethyl)-1,3-propanediyl bis((R)-12-hydroxyoleate)

Base Information

• Chemical Name: 2,2-Bis(hydroxymethyl)-1,3-propanediyl bis((R)-12-hydroxyoleate)
• CAS No.: 28070-58-8
• Molecular Formula: C41H76 O8
• Molecular Weight: 697.0373
• European Community (EC) Number: 248-819-4
• DSSTox Substance ID: DTXSID201115296
• Mol file: 28070-58-8.mol

Synonyms:EINECS 248-819-4;28070-58-8;2,2-Bis(hydroxymethyl)-1,3-propanediyl bis((R)-12-hydroxyoleate);2,2-BIS(HYDROXYMETHYL)-1,3-PROPANEDIYL BIS[(R)-12-HYDROXYOLEATE];DTXSID201115296;9-Octadecenoic acid, 12-hydroxy-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester, [R-[R*,R*-(Z,Z)]]-

Chemical Property of 2,2-Bis(hydroxymethyl)-1,3-propanediyl bis((R)-12-hydroxyoleate)

Chemical Property:

• Vapor Pressure: 1.32E-25mmHg at 25°C
• Boiling Point: 744.8°C at 760 mmHg
• Flash Point: 206.9°C
• PSA: 133.52000
• Density: 1.009g/cm³
• LogP: 9.06040
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 38
• Exact Mass: 696.55401938
• Heavy Atom Count: 49
• Complexity: 745

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCC(CCCCCC)O)O
• Isomeric SMILES: CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)(CO)CO

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