(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b97f7df7b4284b459aef45908ea4841f.png "(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
72236-21-6
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Formula:
C18H25NO8
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
72236-21-6;DTXSID10992967;beta-D-Glucopyranosiduronic acid, 1-(ethyl(3-methylbenzoyl)amino)ethyl;1-[Ethyl(3-methylbenzoyl)amino]ethyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[1-[ethyl-(3-methylbenzoyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
383.4 g/mol
383.15801676 g/mol
Computed Properties
Molecular Weight:383.4
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:383.15801676
Monoisotopic Mass:383.15801676
Topological Polar Surface Area:137
Heavy Atom Count:27
Complexity:530
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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