methyl 6-[(1R,2S,3R)-2-[(E)-5-cyclohexyl-3-hydroxypent-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylhexanoate

Base Information

• Chemical Name: methyl 6-[(1R,2S,3R)-2-[(E)-5-cyclohexyl-3-hydroxypent-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylhexanoate
• CAS No.: 111037-12-8
• Molecular Formula: C23H38 O5 S
• Molecular Weight: 426.61
• Mol file: 111037-12-8.mol

Synonyms:20-dimethyl-7-thiaprostaglandin E1 methyl ester;DMT-PGE1

Chemical Property of methyl 6-[(1R,2S,3R)-2-[(E)-5-cyclohexyl-3-hydroxypent-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylhexanoate

Chemical Property:

• Vapor Pressure: 4.84E-15mmHg at 25°C
• Boiling Point: 563.4°Cat760mmHg
• Flash Point: 294.6°C
• PSA: 109.13000
• Density: 1.14g/cm³
• LogP: 4.04910
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 426.24399548
• Heavy Atom Count: 29
• Complexity: 529

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCCSC1C(C(CC1=O)O)C=CC(CCC2CCCCC2)O
• Isomeric SMILES: COC(=O)CCCCCS[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/C(CCC2CCCCC2)O

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