AC1MC791
potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: 2-Formylamino-2-phenyl-propionsaeure|potassium;(2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|6-(p-Azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, monopotassium salt|Potassium (2S,5R,6R)-6-(4-azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|6-(p-Azidobenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,monopotassium salt|potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|potassium,(2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C15H14KN5O4S |
|---|---|
| Molecular Weight | 399.04034 g/mol |
| LogP | -2.457 |
| Topological Polar Surface Area | 138.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.04034 |
| Monoisotopic Mass | 399.04034 |
| Heavy Atoms | 26 |
| Complexity | 808.7597 |
Chemical Identifiers
| CAS Number | 3381-71-3 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C(=O)[O-])C.[K+] |
Product Overview
AC1MC791 (CAS 3381-71-3), with molecular formula C15H14KN5O4S and molecular weight 399.04034 g/mol. IUPAC: potassium (2S,5R,6R)-6-[(4-azidobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
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