Dodecyl b-D-thiomaltopyranoside

Catalog	DGS148565586
CAS	148565-58-6
Structure
Synonyms	n-Dodecyl b-D-thiomaltoside; Dodecyl 4-O-(a-D-glucopyranosyl)-1-thio-b-D-glucopyranoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-dodecylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	526.68
Molecular Formula	C24H46O10S
InChI	InChI=1S/C24H46O10S/c1-2-3-4-5-6-7-8-9-10-11-12-35-24-21(31)19(29)22(16(14-26)33-24)34-23-20(30)18(28)17(27)15(13-25)32-23/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChI Key	ONZZYJQRGFMDCX-ALYNCGSASA-N
Purity	≥98%
Solubility	≥10% (in water at 20 °C)
Appearance	White to off-white powder
Aggregation Number	(H₂O) ~ 126
Complexity	558
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H₂O) ~ 0.05 mM (0.0026%)
Exact Mass	526.28116883
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCS[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	MFCD09750644
Monoisotopic Mass	526.28116883
pH	5-8 (1% solution in water)
Rotatable Bond Count	16
Topological Polar Surface Area	195 Ų
XLogP3-AA	2.2