Penicillin K

Base Information

• Chemical Name: Penicillin K
• CAS No.: 525-97-3
• Molecular Formula: C16H26 N2 O4 S
• Molecular Weight: 342.45
• DSSTox Substance ID: DTXSID80200506
• Metabolomics Workbench ID: 144048
• Nikkaji Number: J13.968H
• Wikidata: Q27155021
• Mol file: 525-97-3.mol

Synonyms:octanoylpenicillin;penicillin K;penicillin K, ammonium salt;penicillin K, sodium salt

Chemical Property of Penicillin K

Chemical Property:

• Vapor Pressure: 4.77E-16mmHg at 25°C
• Boiling Point: 602.1°Cat760mmHg
• Flash Point: 317.9°C
• PSA: 115.50000
• Density: 1.25g/cm³
• LogP: 2.75680
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 342.16132849
• Heavy Atom Count: 23
• Complexity: 495

Purity/Quality:

99%, ^*data from raw suppliers

PENICILLIN K 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O
• Isomeric SMILES: CCCCCCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O