ChemSpider 2D Image | N-[(4Z)-1-(beta-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]octadecanamide | C42H81NO8

N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]octadecanamide

  • Molecular FormulaC42H81NO8
  • Average mass728.094 Da
  • Monoisotopic mass727.596191 Da
  • ChemSpider ID24765745
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres


More details:






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

N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]octadecanamid [German] [ACD/IUPAC Name]
N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]octadecanamide [ACD/IUPAC Name]
N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadécén-2-yl]octadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N-[(3Z)-1-[(β-D-galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
a-GalCer
cerebroside [Wiki]
D-Galactosylceramide
D-Galactosyl-N-acylsphingosine
Galactocerebroside
galactosylceramide [Wiki]
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 857.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.7±6.0 kJ/mol
Flash Point: 472.5±34.3 °C
Index of Refraction: 1.516
Molar Refractivity: 209.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 12.29
ACD/LogD (pH 5.5): 11.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 693.0±5.0 cm3

Click to predict properties on the Chemicalize site






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