n-Octylglucoside

Catalog	DGS29836268
CAS	29836-26-8
Structure
Synonyms	octyl-β-D-glucopyranoside
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Molecular Weight	292.4
Molecular Formula	C14H28O6
InChI	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChI Key	HEGSGKPQLMEBJL-RKQHYHRCSA-N
Melting Point	105 °C
Purity	≥95%
Solubility	DMF: 16 mg/mL; DMSO: 16 mg/mL; Ethanol: 20 mg/mL; PBS (pH 7.2): 5 mg/mL
Appearance	A crystalline solid
Aggregation Number	(H2O) ~ 27-100
Complexity	250
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 18-20 mM (0.53%)
EC Number	255-367-1
Exact Mass	292.18858861
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Monoisotopic Mass	292.18858861
pH	5-8 (1% solution in water)
pKa	12.95±0.70 (Predicted)
Rotatable Bond Count	9
Shipping	Room temperature
Stability	≥2 years
Storage Conditions	-20 °C
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	1.4