2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid

Base Information

• Chemical Name: 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid
• CAS No.: 120962-76-7
• Molecular Formula: C20H31 Cl O5
• Molecular Weight: 386.9101
• Mol file: 120962-76-7.mol

Synonyms:ZK 118182;ZK-118.182

Chemical Property of 2-[(Z)-4-[(1R,2R,3R,5S)-5-chloro-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]but-2-enoxy]acetic acid

Chemical Property:

• Vapor Pressure: 1.85E-15mmHg at 25°C
• Boiling Point: 571.9°Cat760mmHg
• Flash Point: 299.7°C
• PSA: 86.99000
• Density: 1.22g/cm³
• LogP: 3.13570
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 386.1860018
• Heavy Atom Count: 26
• Complexity: 487

Purity/Quality:

ZK-118182 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(C=CC2C(CC(C2CC=CCOCC(=O)O)Cl)O)O
• Isomeric SMILES: C1CCC(CC1)C(/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\COCC(=O)O)Cl)O)O

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