ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deo xy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-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->6)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-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

  • Molecular FormulaC68H114N4O50
  • Average mass1787.630 Da
  • Monoisotopic mass1786.650024 Da
  • ChemSpider ID28533270

  • 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->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-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->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-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->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-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]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->6)-O-[O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-β-D-g alactopyranosyl-(1->3)-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]
Galbeta1-3GlcNAcbeta1-2Manalpha1-3(Galbeta1-3GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAcbeta
lucopyranosyl-(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
α-L-fucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-g
α-L-fucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-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
β-D-Galp-(1->3)-β-D-GlcpNAc-(1->2)-α-D-Manp-(1->3)-[β-D-Galp-(1->;3)-β-D-GlcpNAc-(1->2)-α-D-Manp-(1->6)]-β-D-Manp-(1->4)-β-D-GlcpNAc-(1->4)-[α-L-Fucp-(1->6)]-β-D-GlcpNAc
  • Miscellaneous

    • Chemical Class:

      A branched amino decasaccharide comprised of a linear trisaccharide chain of a <stereo>beta</stereo>-<stereo>D</stereo>-glucose residue and two <element>N</element>-acetyl-<stereo>beta</stereo>-<stere o>D</stereo>-glucosamine residues, all connected by <stereo>beta</stereo>-linkages, to the mannose residue of which are (1<arrow>right</arrow>3)- and (1<arrow>right</arrow>6)-linked two trisaccharide branches each comprised of a <stereo>beta</stereo>-<stereo>D</stereo>-galactose residue, an <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residue and an <stereo>alph a</stereo>-<stereo>D</stereo>-mannose residue, these connected sequentially by (1<arrow>right</arrow>3) and (1<arrow>right</arrow>2) linkages, together with an <stereo>alpha</stereo>-<stereo>L</stereo >-fucose residue (1<arrow>right</arrow>6)-linked to the reducing-end <element>N</element>acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residue. ChEBI CHEBI:68690
      A branched amino decasaccharide comprised of a linear trisaccharide chain of a beta-D-glucose residue and two N-acetyl-beta-D-glucosamine residues, all connected by beta-linkages, to the mannose resid ue of which are (1->3)- and (1->6)-linked two trisaccharide branches each comprised of a beta-D-galactose residue, an N-acetyl-beta-D-glucosamine residue and an alpha-D-mannose residue, these connecte d sequentially by (1->3) and (1->2) linkages, together with an alpha-L-fucose residue (1->6)-linked to the reducing-end Nacetyl-beta-D-glucosamine residue. ChEBI CHEBI:68690
      A branched amino decasaccharide comprised of a linear trisaccharide chain of a beta-D-glucose residue and two N-acetyl-beta-D-glucosamine residues, all connected by beta-linkages, to the mannose resid ue of which are (1right3)- and (1right6)-linked two trisaccharide branches each comprised of a beta-D-galactose residue, an N-acetyl-beta-D-glucosamine residue and an alph; a-D-mannose residue, these connected sequentially by (1right3) and (1right2) linkages, together with an alpha-L-fucose residue (1right6)-linked to the reducing-end Nacetyl-beta-D-glucosamine residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68690

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

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: -7.76
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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