Decyl b-D-glucopyranoside

Catalog	DGS58846778
CAS	58846-77-8
Structure
Synonyms	n-Decyl-β-D-Glucoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	320.42
Molecular Formula	C16H32O6
InChI	InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChI Key	JDRSMPFHFNXQRB-IBEHDNSVSA-N
Boiling Point	476.5±45.0 °C (Predicted)
Melting Point	75-130 °C
Purity	≥98%
Density	1.14±0.1 g/cm³ (Predicted)
Solubility	≥0.1% (in water at 20 °C)
Appearance	White to off-white powder
Complexity	275
Conductance	<20 μS (0.1% solution in water)
Critical Micelle Concentration	(H2O) ~ 2.2 mM (0.070%)
EC Number	261-469-7
Exact Mass	320.21988874
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00063297
Monoisotopic Mass	320.21988874
pH	5-8 (0.03% solution in water)
pKa	12.95±0.70 (Predicted)
Rotatable Bond Count	11
Storage Conditions	-20 °C
Topological Polar Surface Area	99.4 Ų
XLogP3-AA	2.4