cephalosporin C

Base Information

• Chemical Name: cephalosporin C
• CAS No.: 61-24-5
• Molecular Formula: C16H21 N3 O8 S
• Molecular Weight: 415.424
• European Community (EC) Number: 200-501-6,254-669-0
• UNII: 3XIY7HJT5L
• DSSTox Substance ID: DTXSID90960427
• Nikkaji Number: J4.815A
• Wikipedia: Cephalosporin_C
• Wikidata: Q5063335
• Metabolomics Workbench ID: 50256
• ChEMBL ID: CHEMBL482858
• Mol file: 61-24-5.mol

Synonyms:cephalosporin C;cephalosporin C hydrochloride;cephalosporin C, monosodium salt;cephalosporin C, monosodium salt, (6R-(6alpha,7beta))-isomer;cephalosporin C, monozinc salt;cephalosporin C, potassium salt;cephalosporin C, potassium salt, (6R-(6alpha,7beta(S*)))-isomer;cephalosporin C, sodium salt;cephalosporin C, sodium salt, (6R-(6alpha,7beta))-isomer;cephalosporin C, zinc salt

Chemical Property of cephalosporin C

Chemical Property:

• Vapor Pressure: 3.38E-29mmHg at 25°C
• Boiling Point: 814.7°C at 760 mmHg
• PKA: 2.49±0.24(Predicted)
• Flash Point: 446.5°C
• PSA: 201.63000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: -0.10060
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 415.10493581
• Heavy Atom Count: 28
• Complexity: 737

Purity/Quality:

99%, ^*data from raw suppliers

(6R,7R)-3-[(ACETYLOXY)METHYL]-7-[[(5R)-5-AMINO-5-CARBOXYPENTANOYL]AMINO]-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Pharmaceuticals
• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O
• Recent ClinicalTrials: Trial of Randomized Antibiotic Administration in Percutaneous Nephrolithotomy