3-Cyclohexyl-1-propyl-β-D-glucoside

Catalog	DGS869541004
CAS	869541-00-4
Structure
Synonyms	CYGLU-3
IUPAC Name	(2R,3R,4S,5S,6R)-2-(3-cyclohexylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	304.4
Molecular Formula	C15H28O6
InChI	InChI=1S/C15H28O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h10-19H,1-9H2/t11-,12-,13+,14-,15-/m1/s1
InChI Key	DQXKLNVVAXZAEN-UXXRCYHCSA-N
Purity	≥99%
Solubility	≥20% (in water at 0-5 °C)
Complexity	294
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 28 mM (0.86%)
Exact Mass	304.18858861
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	C1CCC(CC1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Monoisotopic Mass	304.18858861
pH	5-8 (1% solution in water)
Rotatable Bond Count	6
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	1.4