ChemSpider 2D Image | 1-O-[6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl]-N-hexacosanoylphytosphingosine | C56H103N3O10

1-O-[6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine

  • Molecular FormulaC56H103N3O10
  • Average mass978.431 Da
  • Monoisotopic mass977.764343 Da
  • ChemSpider ID30785792

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-O-[6-O-(4-pyridylcarbamoyl)-α-D-galactopyranosyl]-N-hexacosanoylphytosphingosine
Hexacosanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-[[[6-O-[(4-pyridinylamino)carbonyl]-α-D-galactopyranosyl]oxy]methyl]heptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[6-O-(4-pyridinylcarbamoyl)-α-D-galactopyranosyl]oxy}-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[6-O-(4-pyridinylcarbamoyl)-α-D-galactopyranosyl]oxy}-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-3,4-Dihydroxy-1-{[6-O-(4-pyridinylcarbamoyl)-α-D-galactopyranosyl]oxy}-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]
1LA
N-[(2s,3s,4r)-3,4-Dihydroxy-1-{[6-O-(Pyridin-4-Ylcarbamoyl)-α-D-Galactopyranosyl]oxy}octadecan-2-Yl]hexacosanamide
N-{(2S,3S,4R)-3,4-dihydroxy-1-[6-O-(pyridin-4-ylcarbamoyl)-α-D-galactopyranosyloxy]octadecan-2-yl}hexacosanamide
PyrC-α-GalCer
α-GalCer-6"-(4-pyridyl)carbamate
More...
  • Miscellaneous

    • Chemical Class:

      A glycophytoceramide having a 6-<element>O</element>-(4-pyridylcarbamoyl)-<stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to t he nitrogen. ChEBI CHEBI:76100
      A glycophytoceramide having a 6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. ChEBI CHEBI:76100

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1001.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.0±3.0 kJ/mol
Flash Point: 559.3±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 278.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 20.22
ACD/LogD (pH 5.5): 16.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 200 Å2
Polarizability: 110.6±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 904.3±5.0 cm3

Click to predict properties on the Chemicalize site


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