4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid

Base Information

• Chemical Name: 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid
• CAS No.: 96087-34-2
• Molecular Formula: C20H34 O6
• Molecular Weight: 370.49
• Mol file: 96087-34-2.mol

Synonyms:5(6)-epoxyprostaglandin F1 alpha;5(6)epoxy-PGF1alpha

Chemical Property of 4-[3-[[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]methyl]oxiran-2-yl]butanoic acid

Chemical Property:

• Vapor Pressure: 1.47E-14mmHg at 25°C
• Boiling Point: 553.5°C at 760 mmHg
• Flash Point: 189.4°C
• PSA: 110.52000
• Density: 1.226g/cm³
• LogP: 2.25410
• XLogP3: 2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 370.23553880
• Heavy Atom Count: 26
• Complexity: 465

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1C(CC(C1CC2C(O2)CCCC(=O)O)O)O)O
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC2C(O2)CCCC(=O)O)O)O)O

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