Benzyl 6-alpha-acetoxypenicillanate
benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Benzyl 6-alpha-acetoxypenicillanate|benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(acetyloxy)-3,3-dimethyl-7-oxo-, phenylmethyl ester, (2S-(2alpha,5alpha,6alpha))-|benzyl(2s,5r,6s)-6-acetoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|Benzyl 6-(acetyloxy)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|(2S,5R,6S)-6-Acetoxy-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester|Benzyl (2S,5R,6S)-6-(acetyloxy)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C17H19NO5S |
|---|---|
| Molecular Weight | 349.0984 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.0984 |
| Monoisotopic Mass | 349.0984 |
| Heavy Atoms | 24 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 5460-32-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)OCC3=CC=CC=C3 |
| InChIKey | FKUBXZHOKHFPDU-KCQAQPDRSA-N |
Product Overview
Benzyl 6-alpha-acetoxypenicillanate (CAS 5460-32-2), with molecular formula C17H19NO5S and molecular weight 349.0984 g/mol. IUPAC: benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Benzyl 6-alpha-acetoxypenicillanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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