(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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![(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2517c369547949639f22abba57e97b2e.png "(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid")
(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
79703-02-9
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Formula:
C8H10BrNO4S
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Chemical Name:
(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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Synonyms:
6-bromopenicillanic acid S-sulfoxide;6-Bromopenicillanic acid S-sulfoxide;79703-02-9;(2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide;SCHEMBL10917517;DTXSID201000677;6beta-Bromopenicillanic acid 4-oxide;(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, 4-oxide, (2S-(2alpha,5alpha,6alpha))-;6-Bromo-3,3-dimethyl-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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CAS No:
(2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Basic Attributes
296.14 g/mol
294.95139 g/mol
Computed Properties
Molecular Weight:296.14
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:294.95139
Monoisotopic Mass:294.95139
Topological Polar Surface Area:93.9
Heavy Atom Count:15
Complexity:383
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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