Hexyl b-D-maltopyranoside

Catalog	DGS870287959
CAS	870287-95-9
Structure
Synonyms	n-Hexyl b-D-maltoside; Hexyl 4-O-a-D-glucopyranosyl-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-hexoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	426.46
Molecular Formula	C18H34O11
InChI	InChI=1S/C18H34O11/c1-2-3-4-5-6-26-17-15(25)13(23)16(10(8-20)28-17)29-18-14(24)12(22)11(21)9(7-19)27-18/h9-25H,2-8H2,1H3/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18-/m1/s1
InChI Key	KRYKGRXIHMMFCB-YMJSIHPXSA-N
Purity	≥99%
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white crystalline powder
Complexity	467
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H₂O) ~ 210 mM (8.9%)
Exact Mass	426.21011190
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
MDL Number	MFCD09750646
Monoisotopic Mass	426.21011190
pH	5-8 (1% solution in water)
Rotatable Bond Count	10
Topological Polar Surface Area	179 Ų
XLogP3-AA	-1.9