ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-pamitoylphytosphingosine | C40H79NO9

1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine

  • Molecular FormulaC40H79NO9
  • Average mass718.057 Da
  • Monoisotopic mass717.575500 Da
  • ChemSpider ID9472068
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

1-O-(α-D-galactopyranosyl)-N-pamitoylphytosphingosine
Hexadecanamide, N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]hexadécanamide [French] [ACD/IUPAC Name]
(2R,3S,4S)-1-O-(α-D-galactopyarnosyl)-2-palmitoylamino-1,3,4-octadecanetriol
0SH
C16:0-αGalCer
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72334
N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamide
  • Miscellaneous
    • Chemical Class:

      A glycophytoceramide having an <stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranosyl residue at the O-1 position and a palmitoyl (hexadecanoyl) group attached to the nitrogen. ChEBI CHEBI:72334
      A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a palmitoyl (hexadecanoyl) group attached to the nitrogen. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72334

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 868.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.5±6.0 kJ/mol
Flash Point: 479.3±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 10.64
ACD/LogD (pH 5.5): 10.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9102123.00
ACD/LogD (pH 7.4): 10.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9102053.00
Polar Surface Area: 169 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 665.4±5.0 cm3

Click to predict properties on the Chemicalize site






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