ChemSpider 2D Image | N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide (d18:1/16:0) | C60H110N2O23

N-acetyl-β-D-galactosaminyl-(1->3)-α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucosylceramide (d18:1/16:0)

  • Molecular FormulaC60H110N2O23
  • Average mass1227.515 Da
  • Monoisotopic mass1226.749878 Da
  • ChemSpider ID58827454

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres

More details:

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

Hexadecanamide, N-[(1S,2R,3E)-1-[[[O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy]methyl]-2-hydro xy-3-heptadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]hexadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1-{[2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}-3-hydroxy-4-octadécén-2-yl]hexadécanamid e [French] [ACD/IUPAC Name]
N-acetyl-β-D-galactosaminyl-(1->3)-α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucosylceramide (d18:1/16:0)
11034-93-8 [RN]
CQH
Cytolipin K
GalNAc-1->3-Gal-1->4-Gal-1->4-Glc-Cer (d18:1/16:0)
GalNAcbeta1-3-Galalpha1-4Galbeta1-4Glcbeta1-1Cer (d18:1/16:0)
More...

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

  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosaminyl-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>be ta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-glucosylceramide in which the ceramide <element>N</element>-acyl group is specified as hexad ecanoyl. ChEBI CHEBI:132968
      An N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide in which the ceramide N-acyl group is specified as hexadecanoyl. ChEBI CHEBI:132968
      An N-acetyl-beta-D-galactosaminyl-(1right3)-alpha-D-galactosyl-(1right4)-be; ta-D-galactosyl-(1right4)-beta-D-glucosylceramide in which the ceramide N-acyl group is specified as hexad; ecanoyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132968

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1295.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 218.9±6.0 kJ/mol
Flash Point: 737.3±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 312.6±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 4
ACD/LogP: 11.10
ACD/LogD (pH 5.5): 8.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 812709.75
ACD/LogD (pH 7.4): 8.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 812706.19
Polar Surface Area: 395 Å2
Polarizability: 123.9±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 948.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement