ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-m
annopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxy-D-glucitol | C62H104N4O45

β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-m annopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxy-D-glucitol

  • Molecular FormulaC62H104N4O45
  • Average mass1625.489 Da
  • Monoisotopic mass1624.597290 Da
  • ChemSpider ID4450549
  • defined stereocentres - 44 of 44 defined stereocentres


More details:






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

D-Glucitol, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D -glucopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-m annopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;4)-2-acetamido-1,5-anhydro-2-deoxy-D-glucitol [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[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-acetamido-1,5-anhydro-2-desoxy-D-glucitol [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[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-acétamido-1,5-anhydro-2-désoxy-D-glucitol [French] [ACD/IUPAC Name]
GAL-(1-4)NAG-(1-2)MAN-(1-3)MAN-(6-1)MAN-(2-1)NAG-(4-1)GAL-(4,1-4)NAG-(1-4)NAG
GAL-(1-4)NAG-(1-2)MAN-(1-6)MAN-(3-1)MAN-(2-1)NAG-(4-1)GAL-(4,1-4)NAG-(1-4)NAG

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 351.3±0.4 cm3
#H bond acceptors: 49
#H bond donors: 28
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -8.90
ACD/LogD (pH 5.5): -9.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 759 Å2
Polarizability: 139.3±0.5 10-24cm3
Surface Tension: 113.8±5.0 dyne/cm
Molar Volume: 932.9±5.0 cm3

Click to predict properties on the Chemicalize site






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