3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]propanoic acid

Base Information

• Chemical Name: 3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]propanoic acid
• CAS No.: 105450-12-2
• Molecular Formula: C16H24 O5
• Molecular Weight: 296.36
• Mol file: 105450-12-2.mol

Synonyms:7,11-DHKPA;7,11-dihydroxy-5-ketotetranorprosta-9,13-dienoic acid;delta-17-tetranor-PGE1;delta-17-tetranorprostaglandin E1

Chemical Property of 3-[(1R,2R,3R)-3-hydroxy-2-[(1E,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]propanoic acid

Chemical Property:

• Vapor Pressure: 3.62E-12mmHg at 25°C
• Boiling Point: 501.7°C at 760 mmHg
• Flash Point: 271.3°C
• PSA: 94.83000
• Density: 1.23g/cm³
• LogP: 1.69070
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 296.16237386
• Heavy Atom Count: 21
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC(C=CC1C(CC(=O)C1CCC(=O)O)O)O
• Isomeric SMILES: CC/C=C\CC(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCC(=O)O)O)O