(5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid

Base Information

• Chemical Name: (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
• CAS No.: 100311-07-7
• Molecular Formula: C20H30 O5
• Molecular Weight: 350.4492
• Mol file: 100311-07-7.mol

Synonyms:15-keto-PGI2;15-ketoprostaglandin I2

Chemical Property of (5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid

Chemical Property:

• Vapor Pressure: 1.14E-13mmHg at 25°C
• Boiling Point: 534.8°Cat760mmHg
• Flash Point: 184.9°C
• PSA: 83.83000
• Density: 1.217g/cm³
• LogP: 3.61670
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 350.20932405
• Heavy Atom Count: 25
• Complexity: 522

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O
• Isomeric SMILES: CCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/O2)O