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->6)]-beta-D-galactopyranosyl-(1->4)-2-aceta mido-2-deoxy-D-glucopyranose | C42H71N3O31

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)]-β-D-galactopyranosyl-(1->4)-2-aceta mido-2-deoxy-D-glucopyranose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID28533421

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;6)]-O-bet ;a-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [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->6)]-β-D-galactopyranosyl-(1->4)-2-aceta ;mido-2-deoxy-D-glucopyranose [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->6)]-β-D-galactopyranosyl-(1->4)-2-ace ;tamido-2-desoxy-D-glucopyranose [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->6)]-β-D-galactopyranosyl-(1->4)-2-acé ;tamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
Galb1-4GlcNAcb1-6(Galb1-4GlcNAcb1-3)Galb1-4GlcNAc
Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAc
mido-2-deoxy-D-glucopyranose
missing
WURCS=2.0/3,6,5/[a2122h-1x1-52*NCC/3=O][a2112h-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-3-2-3-2/a4-b1b3-c1b6-e1c4-d1_e4-f1
β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-[β-D-Gal-(1->4)-β-D-GlcNAc-(1->6)]-β-D-Gal-(1->4)-D-GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      A branched hexasaccharide consisting of a linear sequence of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, <ster eo>beta</stereo>-<stereo>D</stereo>-mannose and <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residues linked (1<arrow>right</arrow>4), (1<arrow>right</arrow>3) and (1<arrow>right</arrow> 4), to the galactose residue of which is (1<arrow>right</arrow>6)-linked a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo >-<stereo>D</stereo>-glucosaminyl disaccharide unit. ChEBI CHEBI:71042
      A branched hexasaccharide consisting of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-mannose and N-acetyl-D-glucosamine residues linked (1->4), (1->3) and (1->4), to the galactose residue of which is (1->6)-linked a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl disaccharide unit. ChEBI CHEBI:71042
      A branched hexasaccharide consisting of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-mannose and N-acetyl-D-glucosamine residues linked (1right4), (1right3) and (1right; 4), to the galactose residue of which is (1right6)-linked a beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl disaccharide unit. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71042

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1519.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 263.4±6.0 kJ/mol
Flash Point: 872.5±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: -8.35
ACD/LogD (pH 5.5): -8.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
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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