7-Cyclohexylheptyl b-D-maltoside

Catalog	DGS349477492
CAS	349477-49-2
Structure
Synonyms	7-Cyclohexylheptyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside; CYMAL-7
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(7-cyclohexylheptoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	522.63
Molecular Formula	C25H46O11
InChI	InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1
InChI Key	BEKAVONQUWHNMM-IYBATYGCSA-N
Purity	≥98%
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white powder
Aggregation Number	(H2O) ~ 150
Complexity	605
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 0.19 mM (0.0099%)
Exact Mass	522.30401228
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	C1CCC(CC1)CCCCCCCO[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	MFCD09750884
Monoisotopic Mass	522.30401228
pH	5-8 (1% solution in water)
Rotatable Bond Count	13
Topological Polar Surface Area	179 Ų
XLogP3-AA	1.4