(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol
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(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol
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CAS No:
50802-49-8
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Formula:
C7H11NO5S
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Chemical Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol
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Synonyms:
beta-D-glucopyranosyl isothiocyanate;beta-D-glucopyranosylisothiocyanate;beta-D-Glucopyranosyl isothiocyanate;50802-49-8;SCHEMBL7813202;DTXSID60965040;beta-D-Glucopyranosylisothiocyanate;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol;N-(Sulfanylidenemethylidene)hexopyranosylamine
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CAS No:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol Basic Attributes
221.23 g/mol
221.03579362 g/mol
Computed Properties
Molecular Weight:221.23
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:221.03579362
Monoisotopic Mass:221.03579362
Topological Polar Surface Area:135
Heavy Atom Count:14
Complexity:244
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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