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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

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