ChemSpider 2D Image | Gal2GlcNAc2Man3GlcNAcFucGlcNAc | C68H114N4O50

Gal2GlcNAc2Man3GlcNAcFucGlcNAc

  • Molecular FormulaC68H114N4O50
  • Average mass1787.630 Da
  • Monoisotopic mass1786.650024 Da
  • ChemSpider ID24606136
  • defined stereocentres - 50 of 50 defined stereocentres


More details:






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

6-Deoxy-α-L-galactopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deo xy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-d esoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-d ésoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
Gal2GlcNAc2Man3GlcNAcFucGlcNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->6)-O-[O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-β-D-g alactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy- [ACD/Index Name]
annopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[α-L-fucopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranose
Galbeta1-4GlcNAcbeta1-2Manalpha1-3(Galbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAcbeta
Gal-β-1-4GlcNAc-β-1-2Man-α-1-6(Gal-β-1-4GlcNAc-β-1-2Man-α-1-3)Man-β-1-4GlcNAc-β-1-4(Fuc-α-1-6)GlcNAc
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70967
β-D-Gal-(1->4)-β-D-GlcNAc-(1->2)-α-D-Man-(1->3)-[β-D-Gal-(1->4)-β-D-GlcNAc-(1->2)-α-D-Man-(1->6)]-β-D-Man-(1->4)-β-D-GlcNAc-(1->4)-[α-L-Fuc-(1->6)]-β-D-GlcNAc
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  • Miscellaneous
    • Chemical Class:

      A branched amino decasaccharide consisting of a hexasaccharide chain of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosa mine, <stereo>alpha</stereo>-<stereo>D</stereo>-mannose, <stereo>beta</stereo>-<stereo>D</stereo>-mannose, and two <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine resi dues linked sequentially (1<arrow>right</arrow>4), (1<arrow>right</arrow>2), (1<arrow>right</arrow>3), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4), to the <stereo>beta</stereo>-<stereo>D</st ereo>-mannose residue of which is (1<arrow>right</arrow>6)-linked a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<ster eo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl trisaccharide branch and to the reducing end <element>N</element>-acetyl-<stereo>beta</stereo>-<s tereo>D</stereo>-glucosamine residue of which is (1<arrow>right</arrow>6)-linked an <stereo>alpha</stereo>-<stereo>L</stereo>-fucose residue. When it is the <element>N</element>-glycan content of the tumour necrosis factor (TNF) alpha blocker adalimumab, the two terminal galactose residues may be either absent or alternatively the linkage to the GlcNAc residues may be (1<arrow>right</arrow>3), wh ile the fucose residue may be absent. ChEBI CHEBI:70967
      A branched amino decasaccharide consisting of a hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosa; mine, alpha-D-mannose, beta-D-mannose, and two N-acetyl-beta-D-glucosamine resi; dues linked sequentially (1right4), (1right2), (1right3), (1right4) and (1right4), to the beta-D-mannose residue of which is (1right6)-linked a beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1r ight3)-alpha-D-mannosyl trisaccharide branch and to the reducing end N-acetyl-beta-D-glucosamine residue of which is (1right6)-linked an alpha-L-fucose residue. When it is the N-glycan content of the tumour necrosis factor (TNF) alpha blocker adalimumab, the two terminal galactose residues may be either absent or alternatively the linkage to the GlcNAc residues may be (1right3), wh; ile the fucos e residue may be absent. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70967

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 354.6±0.5 cm3
#H bond acceptors: 54
#H bond donors: 31
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -4.50
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 852 Å2
Polarizability: 140.6±0.5 10-24cm3
Surface Tension: 87.9±7.0 dyne/cm
Molar Volume: 886.1±7.0 cm3

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