ChemSpider 2D Image | 1-O-{6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl}-N-hexacosanoylphytosphingosine | C57H103ClN2O10

1-O-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine

  • Molecular FormulaC57H103ClN2O10
  • Average mass1011.888 Da
  • Monoisotopic mass1010.730103 Da
  • ChemSpider ID30785790

  • 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-chlorophenyl)carbamoyl]-α-D-galactopyranosyl}-N-hexacosanoylphytosphingosine
Hexacosanamide, N-[(1S,2S,3R)-1-[[[6-O-[[(4-chlorophenyl)amino]carbonyl]-α-D-galactopyranosyl]oxy]methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1-({6-O-[(4-Chlorophenyl)carbamoyl]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-({6-O-[(4-Chlorophényl)carbamoyl]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadécanyl]hexacosanamide [French] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-({6-O-[(4-Chlorphenyl)carbamoyl]-α-D-galactopyranosyl}oxy)-3,4-dihydroxy-2-octadecanyl]hexacosanamid [German] [ACD/IUPAC Name]
1L9
4ClPhC-α-GalCer
N-[(2s,3s,4r)-1-({6-O-[(4-Chlorophenyl)carbamoyl]-α-D-Galactopyranosyl}oxy)-3,4-Dihydroxyoctadecan-2-Yl]hexacosanamide
N-[(2S,3S,4R)-1-{6-O-[(4-chlorophenyl)carbamoyl]-α-D-galactopyranosyloxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
α-GalCer-6"-(4-chlorophenyl)carbamate
  • Miscellaneous

    • Chemical Class:

      A glycophytoceramide having a 6-<element>O</element>-[(4-chlorophenyl)carbamoyl]-<stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attach ed to the nitrogen. ChEBI CHEBI:76097
      A glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attach; ed to the nitrogen. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76097
      A glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. ChEBI CHEBI:76097

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1006.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.9±3.0 kJ/mol
Flash Point: 562.5±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 286.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 4
ACD/LogP: 21.66
ACD/LogD (pH 5.5): 17.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 187 Å2
Polarizability: 113.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 922.0±5.0 cm3

Click to predict properties on the Chemicalize site


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