D-Glucopyranosylphenyl Isothiocyanate

CAS	20581-41-3
Structure
Synonyms	4-Isothiocyanatophenyl-β-D-glucopyranoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
Molecular Weight	313.33
Molecular Formula	C13H15NO6S
Canonical SMILES	C1=CC(=CC=C1N=C=S)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2/t9-,10-,11+,12-,13-/m1/s1
InChI Key	RWANFUZQWINQBY-UJPOAAIJSA-N
Melting Point	>177 °C (dec.)
Purity	98%
Appearance	White to off-white solid