ChemSpider 2D Image | 1-O-(alpha-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine | C38H66FNO9


  • Molecular FormulaC38H66FNO9
  • Average mass699.930 Da
  • Monoisotopic mass699.472168 Da
  • ChemSpider ID25057372
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

8-(4-Fluorophenyl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]octanamide [ACD/IUPAC Name]
8-(4-Fluorophényl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxy-2-octadécanyl]octanamide [French] [ACD/IUPAC Name]
8-(4-Fluorphenyl)-N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxy-2-octadecanyl]octanamid [German] [ACD/IUPAC Name]
Benzeneoctanamide, 4-fluoro-N-[(1S,2S,3R)-1-[(α-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A glycophytoceramide having an <stereo>alpha</stereo>-<stereo>D</stereo>-galactopyranosyl residue at the O-1 position and an 8-(4-fluorophenyl)octanoyl group attached to the nitrogen. ChEBI CHEBI:60752
      A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 8-(4-fluorophenyl)octanoyl group attached to the nitrogen. ChEBI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 875.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.5±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 189.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 228219.95
ACD/KOC (pH 5.5): 238278.44
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 228218.20
ACD/KOC (pH 7.4): 238276.59
Polar Surface Area: 169 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 599.5±5.0 cm3

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