ChemSpider 2D Image | N-octanoylisoglobotriaosyl ceramide | C44H81NO18

N-octanoylisoglobotriaosyl ceramide

  • Molecular FormulaC44H81NO18
  • Average mass912.110 Da
  • Monoisotopic mass911.545349 Da
  • ChemSpider ID26331653

  • 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

N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]octanamide [French] [ACD/IUPAC Name]
N-octanoylisoglobotriaosyl ceramide
Octanamide, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
isoglobotrihexosylceramide
N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1090.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.0±6.0 kJ/mol
Flash Point: 613.1±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 230.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 774.95
ACD/KOC (pH 5.5): 4068.79
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 774.95
ACD/KOC (pH 7.4): 4068.77
Polar Surface Area: 307 Å2
Polarizability: 91.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 699.6±5.0 cm3

Click to predict properties on the Chemicalize site


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