(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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![(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/82642c3f74104ee8af6426c2857694ca.png "(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid")
(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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CAS No:
107740-67-0
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Formula:
C9H12N2O4S
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Chemical Name:
(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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Synonyms:
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-,(5R,6S)-;4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-(aminomethyl)-6-(1-hydroxyethyl)-7-oxo-,[5R-[5α,6α(R*)]]-;(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;CGP 31608;Antibiotic CGP 31608;97644-04-7
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CAS No:
(5R,6S)-3-(Aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Basic Attributes
244.27 g/mol
244.27
Computed Properties
Molecular Weight:244.27
XLogP3:-3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:244.05177804
Monoisotopic Mass:244.05177804
Topological Polar Surface Area:129
Heavy Atom Count:16
Complexity:395
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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