6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid

Base Information

• Chemical Name: 6-[(1R,5R)-5-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,3-dimethyl-2-oxocyclopentyl]sulfanylhexanoic acid
• CAS No.: 98677-34-0
• Molecular Formula: C23H31 Cl O5 S
• Molecular Weight: 455.01
• Mol file: 98677-34-0.mol

Synonyms:10,10-dimethyl-11-deoxy-7-thia-16-meta-chlorophenoxy-17,18,19,20-tetranol-prostaglandin E1;10,10-DMDTCPT-PGE1;NP 13 A;NP-13-A;NP13A

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

Chemical Property:

• Vapor Pressure: 4.02E-17mmHg at 25°C
• Boiling Point: 637.4°Cat760mmHg
• Flash Point: 339.3°C
• PSA: 109.13000
• Density: 1.25g/cm³
• LogP: 4.99790
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 454.1580730
• Heavy Atom Count: 30
• Complexity: 594

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C(C1=O)SCCCCCC(=O)O)C=CC(COC2=CC(=CC=C2)Cl)O)C
• Isomeric SMILES: CC1(C[C@@H]([C@H](C1=O)SCCCCCC(=O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)C

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