4-Cyclohexyl-1-butyl-β-D-glucoside

Catalog	DGS869542541
CAS	869542-54-1
Synonyms	CYGLU-4
IUPAC Name	(2R,3R,4S,5S,6R)-2-(4-cyclohexylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	318.4
Molecular Formula	C16H30O2
InChI	InChI=1S/C16H30O6/c17-10-12-13(18)14(19)15(20)16(22-12)21-9-5-4-8-11-6-2-1-3-7-11/h11-20H,1-10H2/t12-,13-,14+,15-,16-/m1/s1
InChI Key	PZPARHKVNAJBDB-IBEHDNSVSA-N
Purity	≥99%
Solubility	≥0.1% (in water at 20 °C)
Complexity	307
Conductance	<40 μS (0.1% solution in water)
Critical Micelle Concentration	(H2O) ~ 1.8 mM (0.058%)
Exact Mass	318.20423867
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Monoisotopic Mass	318.20423867
pH	5-8 (0.1% solution in water)
Rotatable Bond Count	7
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	1.9