Undecyl b-D-glucopyranoside

Catalog	DGS70005866
CAS	70005-86-6
Structure
Synonyms	N-undecyl B-D-glucopyranoside
IUPAC Name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-undecoxyoxane-3,4,5-triol
Molecular Weight	334.45
Molecular Formula	C17H34O6
InChI	InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h13-21H,2-12H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChI Key	ULDAPNVYSDTSFM-NQNKBUKLSA-N
Boiling Point	487.8±45.0 °C (Predicted)
Purity	≥99%
Density	1.13±0.1 g/cm³ (Predicted)
Appearance	White to off-white powder
Complexity	288
Exact Mass	334.23553880
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00083514
Monoisotopic Mass	334.23553880
pKa	12.95±0.70 (Predicted)
Rotatable Bond Count	12
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	3