ChemSpider 2D Image | 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-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-m annopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C62H104N4O46

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-m annopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC62H104N4O46
  • Average mass1641.488 Da
  • Monoisotopic mass1640.592163 Da
  • ChemSpider ID28533271

  • defined stereocentres - 45 of 45 defined stereocentres

More details:

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

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-m annopyranosyl-(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]
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-desoxy-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]
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-désoxy-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-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-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-de oxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
annopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
Galb1-3GlcNAcb1-2Mana1-6(Galb1-3GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
Galbeta1-3GlcNAcbeta1-2Manalpha1-3(Galbeta1-3GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
Galbeta1-3GlcNAcbeta1-2Manalpha1-6(Galbeta1-3GlcNAcbeta1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
missing
WURCS=2.0/4,9,8/[a2122h-1b1-52*NCC/3=O][a1122h-1b1-5][a1122h-1a1-5][a2112h-1b1-5]/1-1-2-3-1-4-3-1-4/a4-b1b4-c1c3-d1c6-g1d2-e1e3-f1g2-h1h3-i1
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino nonasaccharide 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. ChEBI CHEBI:68816
      A branched amino nonasaccharide 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. ChEBI CHEBI:68816
      A branched amino nonasaccharide 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. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68816

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: 352.8±0.4 cm3
#H bond acceptors: 50
#H bond donors: 29
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -7.81
ACD/LogD (pH 5.5): -9.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 779 Å2
Polarizability: 139.9±0.5 10-24cm3
Surface Tension: 117.2±5.0 dyne/cm
Molar Volume: 930.6±5.0 cm3

Click to predict properties on the Chemicalize site


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