Octyl β-D-galactopyranoside

Catalog	DGS40427756
CAS	40427-75-6
Structure
Synonyms	n-Octyl β-D-galactoside
IUPAC Name	(2R,3R,4S,5R,6R)-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-MBJXGIAVSA-N
Boiling Point	454.1±45.0 °C (Predicted)
Melting Point	108-109.5 °C
Purity	≥98%
Density	1.18±0.1 g/cm³ (Predicted)
Solubility	≥0.5% (in water at 0-5 °C)
Appearance	White powder
Complexity	250
Conductance	<10 μS (0.5% solution in water)
Critical Micelle Concentration	(H2O) ~ 29.5 mM (0.86%)
EC Number	637-026-2
Exact Mass	292.18858861
Formal Charge	0
Heavy Atom Count	20
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	MFCD00274445
Monoisotopic Mass	292.18858861
pH	5-8 (0.5% solution in water)
pKa	12.95±0.70 (Predicted)
Rotatable Bond Count	9
Storage Conditions	2-8 °C
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	1.4