6-[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid

Base Information

• Chemical Name: 6-[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid
• CAS No.: 98677-36-2
• Molecular Formula: C23H40 O4 S
• Molecular Weight: 0
• Mol file: 98677-36-2.mol

Synonyms:10,10-dimethyl-11-deoxy-7-thia-16,16-dimethyl-PGE1;10,10-dimethyl-11-deoxy-7-thia-16,16-dimethylprostaglandin E1;NP 07 A;NP-07-A;NP07A

Chemical Property of 6-[(1R,5R)-5-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid

Chemical Property:

• Vapor Pressure: 9.39E-15mmHg at 25°C
• Boiling Point: 557.6°Cat760mmHg
• Flash Point: 291°C
• PSA: 99.90000
• Density: 1.06g/cm³
• LogP: 5.48190
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 412.26473093
• Heavy Atom Count: 28
• Complexity: 539

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)(C)C(C=CC1CC(C(=O)C1SCCCCCC(=O)O)(C)C)O
• Isomeric SMILES: CCCCC(C)(C)[C@H](/C=C/[C@H]1CC(C(=O)[C@@H]1SCCCCCC(=O)O)(C)C)O

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