ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido- 2-deoxy-D-glucopyranose | C42H71N3O31

β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido- 2-deoxy-D-glucopyranose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID28533419

  • 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->2)-O-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]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->6)-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido- 2-deoxy-D-glucopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-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-acetamid o-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-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-acétamid o-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
2-deoxy-D-glucopyranose
Galb1-4GlcNAcb1-2Mana1-6Manb1-4GlcNAcb1-4GlcNAc
Galbeta1-4GlcNAcbeta1-2Manalpha1-6Manbeta1-4GlcNAcbeta1-4GlcNAc
missing
O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-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-D-glucopyranoseWURCS=2.0/5,6,5/[a2122h-1x1-52*NCC/3=O][a2122h-1b1-52*NCC/3=O][a1122h-1b1-5][a1122h-1a1-5][a2112h-1b1-5]/1-2-3-4-2-5/a4-b1b4-c1c6-d1d2-e1_e4-f1
β-D-Gal-(1->4)-β-D-GlcNAc-(1->2)-α-D-Man-(1->6)-β-D-Man-(1->4)-β-D-GlcNAc-(1->4)-D-GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      A linear amino hexasaccharide comprised of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, <stereo>alpha</stereo>- <stereo>D</stereo>-mannose, <stereo>beta</stereo>-<stereo>D</stereo>-mannose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine and <element>N</element>-acetyl-<stereo>D </stereo>-glucosamine residues linked sequentially (1<arrow>right</arrow>4), (1<arrow>right</arrow>2), (1<arrow>right</arrow>6), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4). ChEBI CHEBI:71040
      A linear amino hexasaccharide comprised of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-; D-mannose, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D; -glucosamine residues linked se quentially (1right4), (1right2), (1right6), (1right4) and (1right4). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71040
      A linear amino hexasaccharide comprised of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues linked sequen tially (1->4), (1->2), (1->6), (1->4) and (1->4). ChEBI CHEBI:71040

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1506.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 260.7±6.0 kJ/mol
Flash Point: 864.6±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: -5.28
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.30
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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