Hexyl β-D-glucopyranoside

Catalog	DGS59080454
CAS	59080-45-4
Structure
Synonyms	n-Hexyl-β-D-glucoside
IUPAC Name	(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	264.32
Molecular Formula	C12H24O6
InChI	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChI Key	JVAZJLFFSJARQM-RMPHRYRLSA-N
Boiling Point	432.3±45.0 °C (Predicted)
Melting Point	84-86 °C
Purity	≥98%
Density	1.23±0.1 g/cm³ (Predicted)
Solubility	≥20% (in water at 0-5 °C)
Appearance	White to off-white crystalline powder
Complexity	225
Conductance	<40 μS (10% solution in water)
Critical Micelle Concentration	(H2O) ~ 250 mM (6.6%)
Exact Mass	264.15728848
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
MDL Number	MFCD00063305
Monoisotopic Mass	264.15728848
pH	5-8 (1% solution in water)
pKa	12.96±0.70 (Predicted)
Rotatable Bond Count	7
Topological Polar Surface Area	99.4 Ų