7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid

Base Information

• Chemical Name: 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid
• CAS No.: 56348-70-0
• Molecular Formula: C17H22N2O9S
• Molecular Weight: 430.4296
• DSSTox Substance ID: DTXSID60204885
• Wikidata: Q83078353

Synonyms:7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid;56348-70-0;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((5-carboxy-1-oxopentyl)amino)-7-methoxy-8-oxo-, (6R-trans)-;C17H22N2O9S;DTXSID60204885;C17-H22-N2-O9-S

Chemical Property of 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid

Chemical Property:

• Vapor Pressure: 3.18E-27mmHg at 25°C
• Boiling Point: 787.8°Cat760mmHg
• Flash Point: 430.3°C
• Density: 1.51g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 430.10460146
• Heavy Atom Count: 29
• Complexity: 766

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CCCCC(=O)O)OC)SC1)C(=O)O
• Isomeric SMILES: CC(=O)OCC1=C(N2[C@@H]([C@](C2=O)(NC(=O)CCCCC(=O)O)OC)SC1)C(=O)O

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