N-Heptyl-b-D-Thioglucoside

CAS	85618-20-8
Structure
Synonyms	Heptyl-β-D-1-thioglucoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	294.41
Molecular Formula	C13H26O5S
Canonical SMILES	CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
InChI Key	HPEGNLMTTNTJSP-LBELIVKGSA-N
Boiling Point	479.9±45.0 °C
Melting Point	96.1-98.3 °C
Purity	98%
Density	1.23±0.1 g/ml
pKa	13.02±0.70
Appearance	White waxy