ChemSpider 2D Image | N-[(2S,3R,4E)-1-{[beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexadecanamide | C60H110N2O23

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

  • Molecular FormulaC60H110N2O23
  • Average mass1227.515 Da
  • Monoisotopic mass1226.749878 Da
  • ChemSpider ID113382349

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres

More details:

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

Hexadecanamide, N-[(1S,2R,3E)-1-[[[O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-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-{[β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]hexadécanamide [French] [ACD/IUPAC Name]
Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)
iso-LM1(d18:1/16:0)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1295.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 218.9±6.0 kJ/mol
Flash Point: 737.3±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 312.6±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33348.55
ACD/KOC (pH 5.5): 60106.98
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33348.41
ACD/KOC (pH 7.4): 60106.66
Polar Surface Area: 395 Å2
Polarizability: 123.9±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 948.3±5.0 cm3

Click to predict properties on the Chemicalize site


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