7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid

Base Information

• Chemical Name: 7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid
• CAS No.: 98677-35-1
• Molecular Formula: C22H36 O5
• Molecular Weight: 380.52
• Mol file: 98677-35-1.mol

Synonyms:10,10-dimethyl-11-deoxy-6-keto-PGE1;10,10-dimethyl-11-deoxy-6-keto-prostaglandin E1;NP 01A;NP-01-A;NP01A

Chemical Property of 7-[(1R,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]-6-oxoheptanoic acid

Chemical Property:

• Vapor Pressure: 9.56E-15mmHg at 25°C
• Boiling Point: 557.4°Cat760mmHg
• Flash Point: 305°C
• PSA: 91.67000
• Density: 1.081g/cm³
• LogP: 4.31940
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 380.25627424
• Heavy Atom Count: 27
• Complexity: 535

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1CC(C(=O)C1CC(=O)CCCCC(=O)O)(C)C)O
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1CC(C(=O)[C@@H]1CC(=O)CCCCC(=O)O)(C)C)O

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