(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9602734a360c42e5a67039a2e1999c98.png "(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
85559-84-8
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Formula:
C22H24N2O9
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
85559-84-8;3-Hydroxy-N,N'-diacetylbenzidine glucuronide;beta-D-Glucopyranosiduronic acid, 4,4'-bis(acetylamino)(1,1'-biphenyl)-3-yl;DTXSID201006118;4,4'-Bis[(1-hydroxyethylidene)amino][1,1'-biphenyl]-3-yl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6S)-6-[2-acetamido-5-(4-acetamidophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
460.4 g/mol
460.14818035 g/mol
Computed Properties
Molecular Weight:460.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:460.14818035
Monoisotopic Mass:460.14818035
Topological Polar Surface Area:175
Heavy Atom Count:33
Complexity:712
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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