(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c77c59e6679d4105ad80d1105cc4b43f.png "(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid
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CAS No:
86589-32-4
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Formula:
C13H19N3O10
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Chemical Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid
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Synonyms:
misonidazole glucuronide;misonidazole-beta-glucuronide;86589-32-4;Misonidazole glucuronide;Misonidazole-beta-glucuronide;DTXSID901006945;1-Methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-yl hexopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 1-(methoxymethyl)-2-(2-nitro-1H-imidazol-1-yl)ethyl
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CAS No:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl]oxyoxane-2-carboxylic acid Basic Attributes
377.30 g/mol
377.10704381 g/mol
Computed Properties
Molecular Weight:377.30
XLogP3:-2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:377.10704381
Monoisotopic Mass:377.10704381
Topological Polar Surface Area:189
Heavy Atom Count:26
Complexity:503
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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