ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->3)-(3xi)-2-acetamido-2-deoxy-beta-D-xylo-hexopyranosyl-(1->4)-D-glucopyranosyl-(1->3)-2-acetam ido-2-deoxy-D-galactopyranose | C42H71N3O31

β-D-Glucopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-(3ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->4)-D-glucopyranosyl-(1->3)-2-acetam ido-2-deoxy-D-galactopyranose

  • Molecular FormulaC42H71N3O31
  • Average mass1114.015 Da
  • Monoisotopic mass1113.407104 Da
  • ChemSpider ID8416163

  • defined stereocentres - 27 of 30 defined stereocentres

More details:

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

D-Galactopyranose, O-β-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->3)-O(3ξ)-2-(acetylamino)-2-deoxy-β-D-xylo-hexopyranosyl-(1->4 )-O-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->;4)-β-D-glucopyranosyl-(1->3)-(3ξ)-2-acetamido-2-deoxy-β-D-xylo-hexopyranosyl-(1->4)-D-glucopyranosyl-(1->;3)-2-acetam 
ido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-(3ξ)-2-acetamido-2-desoxy-β-D-xylo-hexopyranosyl-(1->4)-D-glucopyranosyl-(1->3)-2-acet 
amido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-(3ξ)-2-acétamido-2-désoxy-β-D-xylo-hexopyranosyl-(1->4)-D-glucopyranosyl-(1->3)-2-acét 
amido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1491.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 257.8±6.0 kJ/mol
Flash Point: 856.0±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: -10.00
ACD/LogD (pH 5.5): -10.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.18
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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