Decyl b-D-thioglucopyranoside

Catalog	DGS98854161
CAS	98854-16-1
Structure
Synonyms	Decyl thioglucoside; DTG
IUPAC Name	(2S,3R,4S,5S,6R)-2-decylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	336.49
Molecular Formula	C16H32O5S
InChI	InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-22-16-15(20)14(19)13(18)12(11-17)21-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16+/m1/s1
InChI Key	WXUWOACRYZHYQL-LJIZCISZSA-N
Purity	≥98%
Solubility	≥1% (at 20 °C)
Appearance	White to off-white powder
Complexity	279
Conductance	<40 μS (1% solution)
Critical Micelle Concentration	(water:methanol) ~0.9mM (0.30%)
Exact Mass	336.19704529
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD01862990
Monoisotopic Mass	336.19704529
pH	5-8 (1% solution)
Rotatable Bond Count	11
Topological Polar Surface Area	115 Ų
XLogP3-AA	3.2