benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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![benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/34d15f4813ca449a96fb2165a57c2a7a.png "benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate")
benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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CAS No:
51483-23-9
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Formula:
C17H19NO5S
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Chemical Name:
benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Synonyms:
benzyl 6-alpha-acetoxypenicillanate;CHEMBL75506;51483-23-9;Benzyl 6-alpha-acetoxypenicillanate;DTXSID90965811;BDBM50281042;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;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(acetyloxy)-3,3-dimethyl-7-oxo-, phenylmethyl ester, (2S-(2alpha,5alpha,6alpha))-
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CAS No:
benzyl (2S,5R,6S)-6-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes
349.4 g/mol
349.09839388 g/mol
Computed Properties
Molecular Weight:349.4
XLogP3:2.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:349.09839388
Monoisotopic Mass:349.09839388
Topological Polar Surface Area:98.2
Heavy Atom Count:24
Complexity:543
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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