ChemSpider 2D Image | 16-(beta-D-Glucopyranosyloxy)hexadecanoic acid | C22H42O8

16-(β-D-Glucopyranosyloxy)hexadecanoic acid

  • Molecular FormulaC22H42O8
  • Average mass434.564 Da
  • Monoisotopic mass434.287964 Da
  • ChemSpider ID88294045

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

16-(β-D-Glucopyranosyloxy)hexadecanoic acid [ACD/IUPAC Name]
16-(β-D-Glucopyranosyloxy)hexadecansäure [German] [ACD/IUPAC Name]
Acide 16-(β-D-glucopyranosyloxy)hexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic acid, 16-(β-D-glucopyranosyloxy)- [ACD/Index Name]
16-hydroxyhexadecanoic acid 16-O-β-D-glucoside
16-hydroxypalmitic acid 16-O-β-D-glucoside
  • Miscellaneous

    • Chemical Class:

      A beta-D-glucoside resulting from the formal condensation of the omega-hydroxy group of 16-hydroxyhexadecanoic acid (16-hydroxypalmitic acid) with beta-D-glucose. ChEBI CHEBI:144935

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 621.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 205.0±25.0 °C
Index of Refraction: 1.523
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 16.44
ACD/KOC (pH 5.5): 153.35
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.46
Polar Surface Area: 137 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

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