1-Oxododecyl A-D-Glucopyranoside

Catalog	DGS64395911
CAS	64395-91-1
Structure
Synonyms	a-D-Glucopyranose, 1-dodecanoate
IUPAC Name	[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dodecanoate
Molecular Weight	362.46
Molecular Formula	C18H34O7
Canonical SMILES	CCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
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-SOVHRIKKSA-N
Boiling Point	499.91 °C at 760 mmHg (Predicted)
Melting Point	128-133 °C
Purity	≥98%
Density	1.2 g/cm3(Predicted)
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	MFCD02683039
Monoisotopic Mass	362.23045342
Rotatable Bond Count	13
Topological Polar Surface Area	116 Ų
XLogP3-AA	3.1