6-Acetylmethylenepenicillanic acid
(2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 6-Acetylmethylenepenicillanic acid|Ro-15-1903|Ro 15-1903|(2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-, (2S-cis)-
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.05653 g/mol |
| LogP | 0.6487 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05653 |
| Monoisotopic Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 454.3878 |
Chemical Identifiers
| CAS Number | 83151-26-2 |
|---|---|
| SMILES | CC(=O)/C=C\1/[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O |
Product Overview
6-Acetylmethylenepenicillanic acid (CAS 83151-26-2), with molecular formula C11H13NO4S and molecular weight 255.05653 g/mol. IUPAC: (2S,5R,6E)-3,3-dimethyl-7-oxo-6-(2-oxopropylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
6-Acetylmethylenepenicillanic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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