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-acetami do-2-deoxy-beta-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->3)-β-D-galactopyranosyl-(1->4)-2-acetami do-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID28533493

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

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-acetami ;do-2-deoxy-β-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->3)-β-D-galactopyranosyl-(1->4)-2-aceta ;mido-2-desoxy-β-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->3)-β-D-galactopyranosyl-(1->4)-2-acéta ;mido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 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- β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
do-2-deoxy-β-D-glucopyranose
Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta
missing
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-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranoseWURCS=2.0/2,6,5/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5]/1-2-1-2-1-2/a4-b1b3-c1c4-d1d3-e1_e4-f1
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
More...
  • Miscellaneous

    • Chemical Class:

      <stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>3)-<stereo>b eta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>3)-<stereo>beta</ster eo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc in which the configuration of the anomeric centre of the reducing-end <ele ment>N</element>-acetylglucosamine residue is <stereo>beta</stereo>. ChEBI CHEBI:71205
      beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc in which the configuration of the anomeric centre of the reducing-end N-acetylglucosamine residue is beta. ChEBI CHEBI:71205
      beta-D-Galp-(1right4)-beta-D-GlcpNAc-(1right3)-b; eta-D-Galp-(1right4)-beta-D-GlcpNAc-(1right3)-beta-D-Galp-(1right4)-D-GlcpNAc in which the configuration of the anomeric centre of the reducing-end N- acetylglucosamine residue is beta. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71205

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1522.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 264.2±6.0 kJ/mol
Flash Point: 874.8±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: -5.54
ACD/LogD (pH 5.5): -6.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.43
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

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