4-Cyclohexyl-1-butyl-β-D-maltoside

Catalog	DGS181135579
CAS	181135-57-9
Structure
Synonyms	4-Cyclohexylbutyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside; CYMAL-4
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(4-cyclohexylbutoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	480.5
Molecular Formula	C22H40O11
InChI	InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChI Key	JRNQXDHDSXBSFV-WXFJLFHKSA-N
Purity	≥99%
Solubility	≥20% (in water at 20 °C)
Aggregation Number	(H2O) ~ 25
Complexity	561
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 7.6 mM (0.37%)
Exact Mass	480.25706209
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	C1CCC(CC1)CCCCO[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	480.25706209
pH	5-8 (1% solution in water)
Rotatable Bond Count	10
Topological Polar Surface Area	179 Ų
XLogP3-AA	-0.2