ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetam
ido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galactopyranose | C64H107N5O46

β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetam ido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-α-D-galactopyranose

  • Molecular FormulaC64H107N5O46
  • Average mass1682.540 Da
  • Monoisotopic mass1681.618774 Da
  • ChemSpider ID58145786
  • defined stereocentres - 45 of 45 defined stereocentres


More details:






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

α-D-Galactopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3) -O-[O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;6)]-2-(acetylamino)-2-deo xy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetam ;ido-2-deoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-α-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->;4)-2-acet ;amido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-desoxy-α-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->;4)-2-acét ;amido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)]-2-acétamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-6)GalNAcalpha
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3)GalNAcalpha
missing
β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-[β-D-Gal-(1->4)-β-D-GlcNAc-(1->;3)-β-D-Gal-(1->4)-β-D-GlcNAc-(1->6)]-α-D-GalNAc
β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-α-D-galactopyranose
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  • Miscellaneous
    • Chemical Class:

      A branched amino nonasaccharide consisting of an <stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine residue to which are attached (1<arrow>right</arrow>3) and (1<arrow>right</arrow>6) two <stereo >beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-< stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl tetrasaccharide branches. ChEBI CHEBI:90406
      A branched amino nonasaccharide consisting of an alpha-D-galactosamine residue to which are attached (1->3) and (1->6) two beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosy l-(1->4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide branches. ChEBI CHEBI:90406
      A branched amino nonasaccharide consisting of an alpha-D-galactosamine residue to which are attached (1right3) and (1right6) two beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1right3)-beta -D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl tetrasaccharide branches. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90406

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 364.3±0.4 cm3
#H bond acceptors: 51
#H bond donors: 29
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -10.18
ACD/LogD (pH 5.5): -11.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 788 Å2
Polarizability: 144.4±0.5 10-24cm3
Surface Tension: 112.9±5.0 dyne/cm
Molar Volume: 969.0±5.0 cm3

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