ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[alpha-D-Galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide | C48H89NO18

N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide

  • Molecular FormulaC48H89NO18
  • Average mass968.216 Da
  • Monoisotopic mass967.607971 Da
  • ChemSpider ID30776565

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres

More details:

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

Dodecanamide, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]dodecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]dodécanamide [French] [ACD/IUPAC Name]
Ceramide trihexoside
D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
Fabry glycolipid
Gal-α1->4Gal-β1->4Glc-β1->1'Cer
gal-α1->4laccer
Ganglioside GL3
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1103.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.4±6.0 kJ/mol
Flash Point: 621.1±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 248.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 4
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16120.78
ACD/KOC (pH 5.5): 35723.67
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16120.71
ACD/KOC (pH 7.4): 35723.55
Polar Surface Area: 307 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 763.4±5.0 cm3

Click to predict properties on the Chemicalize site


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