N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
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![N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1271d6c3263e41aaaae2fdf8b30fee90.png "N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide")
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
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CAS No:
141411-41-8
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Formula:
C12H21N3O5S
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Chemical Name:
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide
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Synonyms:
3-azi-1-((2-acetamido-2-deoxy-1-glucopyranosyl)thio)butane;AADGTB;141411-41-8;3-Azi-1-((2-acetamido-2-deoxy-1-glucopyranosyl)thio)butane;Aadgtb;DTXSID00161726;N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide;beta-D-Glucopyranoside, 2-(3-methyl-3H-diazirin-3-yl)ethyl 2-(acetylamino)-2-deoxy-1-thio-
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CAS No:
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]oxan-3-yl]acetamide Basic Attributes
319.38 g/mol
319.12019195 g/mol
DTXSID00161726
Computed Properties
Molecular Weight:319.38
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:319.12019195
Monoisotopic Mass:319.12019195
Topological Polar Surface Area:149
Heavy Atom Count:21
Complexity:416
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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