ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-de
oxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C68H114N4O50

6-Deoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-de oxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC68H114N4O50
  • Average mass1787.630 Da
  • Monoisotopic mass1786.650024 Da
  • ChemSpider ID28533394
  • 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->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-de oxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;3)]-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->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2- desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-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->3)-[β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2- désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-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]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[O-β-D-ga lactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(ace tylamino)-2-deoxy- [ACD/Index Name]
glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70962
α-L-Fuc-(1->3)-[β-D-Gal-(1->4)]-β-D-GlcNAc-(1->2)-α-D-Man-(1->6)-[β-D-Gal-(1->4)-β-D-GlcNAc-(1->2)-α-D-Man-(1->3)]-β-D-Man-(1->4)-β-D-GlcNAc-(1->;4)-β-D-GlcNAc
α-L-fucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-
α-L-fucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->;2)-α-D-mannosyl-(1->3)-{α-L-fucosyl-(1->3)-[β-D-galactosyl-(1->4)]-N-acetyl-β-D-glucosaminyl-(1->2)-α-D-mannosyl-(1->6)}-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosamine
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  • Miscellaneous
    • Chemical Class:

      A branched amino decasaccharide comprised of a hexasaccharide chain of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosam ine, <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 resid ues 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</ste reo>-mannose residue of which is (1<arrow>right</arrow>6)-linked an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<a rrow>right</arrow>4)]-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl tetrasaccharide bran ch. ChEBI CHEBI:70962
      A branched amino decasaccharide comprised of a hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosam; ine, alpha-D-mannose, beta-D-mannose, and two N-acetyl-beta-D-glucosamine resid; ues linked sequentially (1right4), (1right2), (1right3), (1right4) and (1right4), to the beta-D-mannose residue of which is (1right6)-linked an alpha-L-fucosyl-(1right3)-[beta-D-galactosyl-(1right4)]-N-ac etyl-beta-D-glucosaminyl-(1right3)-alpha-D-mannosyl tetrasaccharide branch. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70962

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 385.0±0.4 cm3
#H bond acceptors: 54
#H bond donors: 31
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -7.89
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: 838 Å2
Polarizability: 152.6±0.5 10-24cm3
Surface Tension: 116.7±5.0 dyne/cm
Molar Volume: 1015.4±5.0 cm3

Click to predict properties on the Chemicalize site






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