Octyl a-D-glucopyranoside

Catalog	DGS29781804
CAS	29781-80-4
Structure
Synonyms	N-Octyl a-glucoside
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Molecular Weight	292.37
Molecular Formula	C14H28O6
InChI	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChI Key	HEGSGKPQLMEBJL-RGDJUOJXSA-N
Boiling Point	454.1±45.0 °C (Predicted)
Melting Point	110-112 °C
Purity	≥99%
Density	1.18±0.1 g/cm³ (Predicted)
Solubility	≥0.1% (in water at 20 °C)
Appearance	White to off-white powder
Complexity	250
Conductance	<50 μS (0.1% solution in water)
Critical Micelle Concentration	(H2O) ~ 10-21 mM (0.3%-0.6%)
EC Number	255-367-1
Exact Mass	292.18858861
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00070008
Monoisotopic Mass	292.18858861
pH	5-8 (0.1% solution in water)
pKa	12.95±0.70 (Predicted)
Rotatable Bond Count	9
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	1.4