Hexadecyl b-D-maltopyranoside

Catalog	DGS98064961
CAS	98064-96-1
Structure
Synonyms	n-Hexadecyl b-D-maltoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-hexadecoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	566.72
Molecular Formula	C28H54O11
InChI	InChI=1S/C28H54O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-36-27-25(35)23(33)26(20(18-30)38-27)39-28-24(34)22(32)21(31)19(17-29)37-28/h19-35H,2-18H2,1H3/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28-/m1/s1
InChI Key	GTQCHJYVKDXMRU-YMEALESQSA-N
Purity	≥98%
Solubility	≥1.0% (in water at 40 °C)
Appearance	White to off-white powder
Complexity	612
Conductance	<80 μS (0.1% solution in water)
Critical Micelle Concentration	(H2O) ~ 0.0006 mM (0.00003%)
Exact Mass	566.36661253
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCCCCCO[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	MFCD01310880
Monoisotopic Mass	566.36661253
pH	5-8 (0.1% solution in water)
Rotatable Bond Count	20
Topological Polar Surface Area	179 Ų
XLogP3-AA	3.6