4-[(Z,1S)-1-(2-carboxyethylsulfanyl)-11-phenylundec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid

Base Information

• Chemical Name: 4-[(Z,1S)-1-(2-carboxyethylsulfanyl)-11-phenylundec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid
• CAS No.: 129509-46-2
• Molecular Formula: C27H40 O5 S
• Molecular Weight: 476.6685

Synonyms:4-(1-((2-carboxyethyl)thio)-11-phenyl-2-undecenyl)-4-hydroxy-,(4(S)-(1alpha, 4beta, 4(Z)))-cyclohexanecarboxylic acid;MDL 28,753;MDL 28753;MDL-28753

Chemical Property of 4-[(Z,1S)-1-(2-carboxyethylsulfanyl)-11-phenylundec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.96E-19mmHg at 25°C
• Boiling Point: 677°Cat760mmHg
• Flash Point: 363.2°C
• Density: 1.16g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 476.25964555
• Heavy Atom Count: 33
• Complexity: 591

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C(=O)O)(C(C=CCCCCCCCCC2=CC=CC=C2)SCCC(=O)O)O
• Isomeric SMILES: C1CC(CCC1C(=O)O)([C@H](/C=C\CCCCCCCCC2=CC=CC=C2)SCCC(=O)O)O

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