ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->3)-[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->6)]-2-aceta mido-2-deoxy-alpha-D-galactopyranose | C42H71N3O31

β-D-Galactopyranosyl-(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-aceta mido-2-deoxy-α-D-galactopyranose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID58145785

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

α-D-Galactopyranose, O-β-D-galactopyranosyl-(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-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(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-aceta ;mido-2-deoxy-α-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-[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->;6)]-2-ace ;tamido-2-desoxy-α-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-[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->;6)]-2-acé ;tamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-6(Galb1-3)GalNAca
Galbeta1-3(Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-6)GalNAcalpha
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-6(Galbeta1-3)GalNAcalpha
missing
WURCS=2.0/3,6,5/[a2112h-1a1-52*NCC/3=O][a2112h-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-3-2-3-2/a3-b1a6-c1c4-d1d3-e1_e4-f1
β-D-galactopyranosyl-(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
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide comprising a linear pentasaccharide chain of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-gl ucosamine, <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine and <element>N</element>-acetyl-<stereo>alpha</stereo>-< stereo>D</stereo>-galactosamine residues linked sequentially (1<arrow>right</arrow>4), (1<arrow>right</arrow>3), (1<arrow>right</arrow>4), (1<arrow>right</arrow>6), to the <element>N</element>-acetyl- <stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine residue at the reducing end of which is also linked (1<arrow>right</arrow>3) a further <stereo>beta</stereo>-<stereo>D</stereo>-galactose residu e. ChEBI CHEBI:90404
      A branched amino hexasaccharide comprising a linear pentasaccharide chain of beta-D-galactose, N-acetyl-beta-D-gl; ucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galacto samine residues linked sequentially (1right4), (1right3), (1right4), (1right6), to the N-acetyl-; alpha-D-galactosamine residue at the reducing end of which is also linked (1right3) a further beta-D-g alactose residu; e. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90404
      A branched amino hexasaccharide comprising a linear pentasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosa mine residues linked sequentially (1->4), (1->3), (1->4), (1->6), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->3) a further beta-D-galactose residue. ChEBI CHEBI:90404

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1513.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 262.2±6.0 kJ/mol
Flash Point: 868.9±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 240.2±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -8.39
ACD/LogD (pH 5.5): -8.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 533 Å2
Polarizability: 95.2±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 645.4±5.0 cm3

Click to predict properties on the Chemicalize site


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