Catalog Number:
AG002ADB
Chemical Name:
α-D-Glucopyranoside, 4-isothiocyanatophenyl
CAS Number:
20581-45-7
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
MDL Number:
MFCD00057921
IUPAC Name:
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-isothiocyanatophenoxy)oxane-3,4,5-triol
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-LBELIVKGSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)N=C=S)[C@@H]([C@H]([C@@H]1O)O)O
