Octyl thioglucoside

CAS	85618-21-9
Structure
Synonyms	1-O-n-Octyl b-D-thiogalactopyranoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Molecular Weight	308.43
Molecular Formula	C14H28O5S
Canonical SMILES	CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChI Key	CGVLVOOFCGWBCS-RGDJUOJXSA-N
Boiling Point	418.82 °C
Melting Point	125-131 °C
Purity	98%
Density	1.18 g/ml
pKa	13.02±0.70
Appearance	White solid