(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aab93af9bd524963b89402c46a4576da.png "(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
89399-25-7
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Formula:
C15H28NO10P
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Chemical Name:
(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
89399-25-7;DTXSID801008798;beta-D-Glucopyranosiduronic acid, (2-((1,1-dimethylethyl)amino)-5-methyl-2-oxido-1,3,2-dioxaphosphorinan-5-yl)methyl;[2-(tert-Butylamino)-5-methyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-5-yl]methyl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R,6R)-6-[[2-(tert-butylamino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
413.36 g/mol
413.14508309 g/mol
Computed Properties
Molecular Weight:413.36
XLogP3:-1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:413.14508309
Monoisotopic Mass:413.14508309
Topological Polar Surface Area:164
Heavy Atom Count:27
Complexity:582
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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