Dodecyl A-D-Glucopyranoside

Catalog	DGS29980163
CAS	29980-16-3
Structure
Synonyms	1-O-Dodecyl-α-D-glucopyranose; Dodecyl α-D-gluco-hexopyranoside
IUPAC Name	(2S,3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	348.47
Molecular Formula	C18H36O6
Canonical SMILES	CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI	InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChI Key	PYIDGJJWBIBVIA-SFFUCWETSA-N
Purity	≥95%
Complexity	301
EC Number	249-988-7
Exact Mass	348.25118886
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00214275
Monoisotopic Mass	348.25118886
Rotatable Bond Count	13
Storage Conditions	-20 °C
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	3.5