ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-(4xi)-2-acetamido-2-deoxy-beta-D-xylo-hexopyranosyl-(1->6)]-(5xi)-alpha-L-arabino-hexopy ranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose | C42H71N3O31

β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-(4ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->6)]-(5ξ)-α-L-arabino-hexopy ranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID111290

  • defined stereocentres - 27 of 29 defined stereocentres

More details:

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

D-Glucose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;3)-O-[O-β-D-galactopyranosyl-(1->4)-(4ξ)-2-(acetylamino)-2-deoxy-β-D-xylo-hexopyranosyl-(1->6)]-O (5ξ)-α-L-arabino-hexopyranosyl-(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)-(4ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->6)]-(5ξ)-α-L-arabino-hexopy ranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-(4ξ)-2-acetamido-2-desoxy-β-D-xylo-hexopyranosyl-(1->6)]-(5ξ)-α-L-arabino-hexo pyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-(4ξ)-2-acétamido-2-désoxy-β-D-xylo-hexopyranosyl-(1->6)]-(5ξ)-α-L-arabino-hexo pyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
93128-11-1 [RN]
Gal β 1-4-glcnac-β 1-3(gal-β 1-4-glcnac-β 1-6)gal-β 1-4-glcnac
Galactosyl-β 1-4-N-acetylglucosaminyl-β 1-3-(galactosyl-β 1-4-N-acetylglucosaminyl-β 1-6)galactosyl-β 1-4-N-acetylglucosaminylpyranoside
Glcnac branched hexasaccharide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1529.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 265.5±6.0 kJ/mol
Flash Point: 878.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 240.8±0.4 cm3
#H bond acceptors: 34
#H bond donors: 20
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -8.29
ACD/LogD (pH 5.5): -8.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 541 Å2
Polarizability: 95.5±0.5 10-24cm3
Surface Tension: 107.6±5.0 dyne/cm
Molar Volume: 654.5±5.0 cm3

Click to predict properties on the Chemicalize site


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