(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3e2b3c65ed554c878d348e0f117c09a1.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid
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CAS No:
33776-71-5
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Formula:
C11H14NO7S-
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid
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Synonyms:
33776-71-5;2-Pyridinehiol 1-oxide glucuronide;DTXSID30955357;(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((1-oxido-2H-pyridin-6-yl)sulfanyl)oxane-2-carboxylic acid;6-(Hexopyranuronosylthio)pyridin-1(2H)-olate;beta-D-Glucopyranosiduronic acid, 1-oxido-2-pyridinyl 1-thio-
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1-oxido-2H-pyridin-6-yl)sulfanyl]oxane-2-carboxylic acid Basic Attributes
304.30 g/mol
304.04909796 g/mol
Computed Properties
Molecular Weight:304.30
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:304.04909796
Monoisotopic Mass:304.04909796
Topological Polar Surface Area:159
Heavy Atom Count:20
Formal Charge:-1
Complexity:441
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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