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Home > Encyclopedia > (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol structure

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol 

structure
  • CAS No:

    50802-49-8

  • Formula:

    C7H11NO5S

  • Chemical Name:

    (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol

  • 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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol Basic Attributes

221.23 g/mol

221.03579362 g/mol

Characteristics

135 Ų

Drug Information

beta-D-glucopyranosyl isothiocyanate

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

Guide of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-isothiocyanatooxane-3,4,5-triol

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