ChemSpider 2D Image | 6-O-[4-(Dodecyloxy)-2-butyn-1-yl]-alpha-D-galactopyranose | C22H40O7

6-O-[4-(Dodecyloxy)-2-butyn-1-yl]-α-D-galactopyranose

  • Molecular FormulaC22H40O7
  • Average mass416.549 Da
  • Monoisotopic mass416.277405 Da
  • ChemSpider ID29415557
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

6-O-[4-(Dodecyloxy)-2-butin-1-yl]-α-D-galactopyranose [German] [ACD/IUPAC Name]
6-O-[4-(Dodecyloxy)-2-butyn-1-yl]-α-D-galactopyranose [ACD/IUPAC Name]
6-O-[4-(Dodécyloxy)-2-butyn-1-yl]-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, 6-O-[4-(dodecyloxy)-2-butyn-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2520.05
ACD/KOC (pH 5.5): 9469.44
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2519.98
ACD/KOC (pH 7.4): 9469.19
Polar Surface Area: 109 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 366.6±3.0 cm3

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