methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate

Base Information

• Chemical Name: methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate
• CAS No.: 61956-81-8
• Molecular Formula: C23H36 O4
• Molecular Weight: 376.53
• Mol file: 61956-81-8.mol

Synonyms:16,16-dimethyl-PGA2 methyl ester;16,16-dimethylprostaglandin A2 methyl ester;16,16-DM-PGA2-ME

Chemical Property of methyl (Z)-7-[(1R,2S)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoate

Chemical Property:

• Vapor Pressure: 8.76E-12mmHg at 25°C
• Boiling Point: 492.9°C at 760 mmHg
• PKA: 14.22±0.20(Predicted)
• Flash Point: 158.6°C
• PSA: 63.60000
• Density: 1.041g/cm³
• LogP: 4.78080
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 376.26135963
• Heavy Atom Count: 27
• Complexity: 557

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)(C)C(C=CC1C=CC(=O)C1CC=CCCCC(=O)OC)O
• Isomeric SMILES: CCCCC(C)(C)[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O