6-Cyclohexylhexyl b-D-maltoside

Catalog	DGS228579279
CAS	228579-27-9
Structure
Synonyms	6-Cyclohexylhexyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(6-cyclohexylhexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	508.6
Molecular Formula	C24H44O11
InChI	InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChI Key	WUCWJXGMSXTDAV-QKMCSOCLSA-N
Boiling Point	722.0±60.0 °C (Predicted)
Purity	≥99%
Density	1.34±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 20 °C)
Appearance	White to off-white powder
Aggregation Number	(H2O) ~ 91
Complexity	590
Critical Micelle Concentration	(H2O) ~ 0.56 mM (0.028%)
Exact Mass	508.28836222
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	C1CCC(CC1)CCCCCCO[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
MDL Number	MFCD01862985
Monoisotopic Mass	508.28836222
pH	5-8 (1% solution in water)
pKa	12.82±0.70 (Predicted)
Rotatable Bond Count	12
Topological Polar Surface Area	179 Ų
XLogP3-AA	0.9