7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid
(6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid|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)-|(6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|(6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-(acetyloxymethyl)-7-[(6-hydroxy-6-oxohexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-[(Acetyloxy)methyl]-7-(5-carboxypentanamido)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C17H22N2O9S |
|---|---|
| Molecular Weight | 430.1046 g/mol |
| LogP | -0.0928 |
| Topological Polar Surface Area | 159.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.1046 |
| Monoisotopic Mass | 430.1046 |
| Heavy Atoms | 29 |
| Complexity | 766.0025 |
Chemical Identifiers
| CAS Number | 56348-70-0 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@](C2=O)(NC(=O)CCCCC(=O)O)OC)SC1)C(=O)O |
Product Overview
7-(5-Carboxyvaleramido)-7-methoxycephalosporanic acid (CAS 56348-70-0), with molecular formula C17H22N2O9S and molecular weight 430.1046 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-(5-carboxypentanoylamino)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.