2-Cyclohexyl-1-ethyl-β-D-maltoside

Catalog	DGS260804657
CAS	260804-65-7
Structure
Synonyms	2-Cyclohexylethyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	452.5
Molecular Formula	C20H36O11
InChI	InChI=1S/C20H36O11/c21-8-11-13(23)14(24)16(26)20(29-11)31-18-12(9-22)30-19(17(27)15(18)25)28-7-6-10-4-2-1-3-5-10/h10-27H,1-9H2/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20-/m1/s1
InChI Key	RHXPDNGQJSXOMW-OIIXUNCGSA-N
Boiling Point	699.6±55.0 °C (Predicted)
Purity	≥99%
Density	1.44±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 20 °C)
Appearance	White to off white powder
Complexity	531
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 120 mM (5.4%)
Exact Mass	452.22576196
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	C1CCC(CC1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Monoisotopic Mass	452.22576196
pH	5-8 (1% solution in water)
pKa	12.82±0.70 (Predicted)
Rotatable Bond Count	8
Topological Polar Surface Area	179 Ų
XLogP3-AA	-1.1