7-Aminocephalosporanic acid
3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 7-Aminocephalosporanic acid, 7-ACA, 3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BAS 05307735, J1.103.171D, 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[, 3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (7R,7aR)-3-(acetyloxymethyl)-7-amino-6-oxo-2H,7H-azetidino[2,1-b]1,3-thiazine- 4-carboxylic acid, 3-(Acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2ene-2carboxylic acid, 3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic
| Molecular Formula | C10H12N2O5S |
|---|---|
| Molecular Weight | 272.0467 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 109.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0467 |
| Heavy Atoms | 18 |
| Complexity | 461 |
Chemical Identifiers
| CAS Number | 957-68-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O |
Product Overview
7-Aminocephalosporanic acid (CAS 957-68-6), with molecular formula C10H12N2O5S and molecular weight 272.0467 g/mol. IUPAC: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
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