ChemSpider 2D Image | (17Z)-N-[(4Z)-1-(beta-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide | C50H95NO8

(17Z)-N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide

  • Molecular FormulaC50H95NO8
  • Average mass838.291 Da
  • Monoisotopic mass837.705750 Da
  • ChemSpider ID24765749
  • 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

(17Z)-N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamid [German] [ACD/IUPAC Name]
(17Z)-N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadecen-2-yl]-17-hexacosenamide [ACD/IUPAC Name]
(17Z)-N-[(4Z)-1-(β-D-Galactopyranosyloxy)-3-hydroxy-4-octadécén-2-yl]-17-hexacosénamide [French] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(3Z)-1-[(β-D-galactopyranosyloxy)methyl]-2-hydroxy-3-heptadecen-1-yl]-, (17Z)- [ACD/Index Name]
(17Z)-N-[(4Z)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]hexacos-17-enamide
a-GalCer
cerebroside [Wiki]
D-Galactosylceramide
D-Galactosyl-N-acylsphingosine
Galactocerebroside
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.3±6.0 kJ/mol
Flash Point: 508.3±34.3 °C
Index of Refraction: 1.517
Molar Refractivity: 246.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 16.02
ACD/LogD (pH 5.5): 14.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 97.6±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 814.1±5.0 cm3

Click to predict properties on the Chemicalize site





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