Cholesteryl-6-pyrenylhexanoate

Base Information

• Chemical Name: Cholesteryl-6-pyrenylhexanoate
• CAS No.: 96886-70-3
• Molecular Formula: C49H64 O2
• Molecular Weight: 685.03
• DSSTox Substance ID: DTXSID90914263
• Mol file: 96886-70-3.mol

Synonyms:cholesteryl(pyren-1-yl)hexanoate;cholesteryl-6-pyrenylhexanoate;ChPH;P6Chol

Chemical Property of Cholesteryl-6-pyrenylhexanoate

Chemical Property:

• Vapor Pressure: 1.1E-22mmHg at 25°C
• Boiling Point: 755°Cat760mmHg
• Flash Point: 412.7°C
• PSA: 26.30000
• Density: 1.09g/cm³
• LogP: 13.64010
• Storage Temp.: −20°C
• XLogP3: 15.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 684.49063128
• Heavy Atom Count: 51
• Complexity: 1230

Purity/Quality:

95% ^*data from raw suppliers

CHOLESTERYL(PYREN-1-YL)-HEXANOATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCCCCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C)C

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