[(3S,4S)-4-[(1R)-1-(4-Chlorophenylthiocarbonyl)ethyl]-3-[(1R)-1-hydroxyethyl]-2-oxoazetidine-1-yl]acetic acid

Base Information

• Chemical Name: [(3S,4S)-4-[(1R)-1-(4-Chlorophenylthiocarbonyl)ethyl]-3-[(1R)-1-hydroxyethyl]-2-oxoazetidine-1-yl]acetic acid
• CAS No.: 105318-28-3
• Molecular Formula: C₁₆H₁₈ClNO₅S
• Molecular Weight: 371.842
• European Community (EC) Number: 600-646-9
• DSSTox Substance ID: DTXSID001107102
• Nikkaji Number: J1.625.397I

Synonyms:SCHEMBL13839497;DTXSID001107102;(2S,3S)-2-[(1R)-2-[(4-chlorophenyl)thio]-1-methyl-2-oxoethyl]-3-[(1R)-1-hydroxyethyl]-4-oxo-1-azetidineacetic acid;[(3S,4S)-4-[(1R)-1-(4-Chlorophenylthiocarbonyl)ethyl]-3-[(1R)-1-hydroxyethyl]-2-oxoazetidine-1-yl]acetic acid;105318-28-3

Chemical Property of [(3S,4S)-4-[(1R)-1-(4-Chlorophenylthiocarbonyl)ethyl]-3-[(1R)-1-hydroxyethyl]-2-oxoazetidine-1-yl]acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 81-83 °C
• Boiling Point: 612.2±40.0 °C(Predicted)
• PKA: 3.75±0.10(Predicted)
• Density: 1.45±0.1 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 371.0594215
• Heavy Atom Count: 24
• Complexity: 509

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C1C(N(C1=O)CC(=O)O)C(C)C(=O)SC2=CC=C(C=C2)Cl)O
• Isomeric SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC(=O)O)[C@@H](C)C(=O)SC2=CC=C(C=C2)Cl)O

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