1-Oxododecyl β-D-glucopyranoside

Catalog	DGS64395922
CAS	64395-92-2
Structure
Synonyms	1-Dodecanoate-β-D-glucopyranose
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dodecanoate
Molecular Weight	362.46
Molecular Formula	C18H34O7
InChI	InChI=1S/C18H34O7/c1-2-3-4-5-6-7-8-9-10-11-14(20)25-18-17(23)16(22)15(21)13(12-19)24-18/h13,15-19,21-23H,2-12H2,1H3/t13-,15-,16+,17-,18+/m1/s1
InChI Key	HABWUWJGNVZVPU-LHKMKVQPSA-N
Melting Point	124 °C
Purity	≥95%
Appearance	white to off-white crystalline powder
Complexity	363
Exact Mass	362.23045342
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00066996
Monoisotopic Mass	362.23045342
Rotatable Bond Count	13
Topological Polar Surface Area	116 Ų
XLogP3-AA	3.1