Nonyl b-D-thioglucopyranoside

Catalog	DGS98854150
CAS	98854-15-0
Structure
Synonyms	n-Nonyl b-D-thioglucoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-nonylsulfanyloxane-3,4,5-triol
Molecular Weight	322.46
Molecular Formula	C15H30O5S
InChI	InChI=1S/C15H30O5S/c1-2-3-4-5-6-7-8-9-21-15-14(19)13(18)12(17)11(10-16)20-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15+/m1/s1
InChI Key	HICSQFRUQXWIGI-QMIVOQANSA-N
Purity	≥95%
Solubility	≥0.05% (in water at 0-5 °C)
Complexity	266
Conductance	<40 μS (0.05% solution)
Critical Micelle Concentration	(water:methanol) ~ 2.9mM (0.093%)
EC Number	664-063-1
Exact Mass	322.18139523
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD16621059
Monoisotopic Mass	322.18139523
pH	5-8 (0.05% solution)
Rotatable Bond Count	10
Topological Polar Surface Area	115 Ų
XLogP3-AA	2.7