ChemSpider 2D Image | alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/22:0) | C58H109NO18

α-D-Gal-(1->4)-β-D-Gal-(1->4)-β-D-Glc-(1<->1')-Cer(d18:1/22:0)

  • Molecular FormulaC58H109NO18
  • Average mass1108.482 Da
  • Monoisotopic mass1107.764526 Da
  • ChemSpider ID34449060

  • 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

Docosanamide, N-[(1S,2R,3E)-1-[[[O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]docosanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]docosanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]docosanamide [French] [ACD/IUPAC Name]
α-D-Gal-(1->4)-β-D-Gal-(1->4)-β-D-Glc-(1<->1')-Cer(d18:1/22:0)
Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Gb3(d18:1/22:0)
missing
N-[(2S,3R,4E)-1-{[α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
  • Miscellaneous

    • Chemical Class:

      A glycotriaosylceramide having <stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</ stereo>-<stereo>D</stereo>-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/22:0). ChEBI CHEBI:84694
      A glycotriaosylceramide having alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/22:0). ChEBI CHEBI:84694
      A glycotriaosylceramide having alpha-D-galactosyl-(1right4)-beta-D-galactosyl-(1right4)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/22:0). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84694

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1152.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 192.1±6.0 kJ/mol
Flash Point: 650.6±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 295.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 4
ACD/LogP: 12.27
ACD/LogD (pH 5.5): 10.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6636586.00
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6636556.50
Polar Surface Area: 307 Å2
Polarizability: 117.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 922.7±5.0 cm3

Click to predict properties on the Chemicalize site


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