ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-ma
nnopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | C48H81N3O36

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-ma nnopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose

  • Molecular FormulaC48H81N3O36
  • Average mass1276.155 Da
  • Monoisotopic mass1275.459961 Da
  • ChemSpider ID8238284
  • defined stereocentres - 35 of 35 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-ma nnopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D- mannopyranosyl-(1->4)-2-acetamido-2-desoxy-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D- mannopyranosyl-(1->4)-2-acétamido-2-désoxy-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2) -α-D-mannopyranosyl-(1->3)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
NAG-(1-2)MAN-(1-6)MAN-(3-1)MAN-(2-1)NAG-(4-1)GAL-(3,1-4)NAG

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1624.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 285.6±6.0 kJ/mol
Flash Point: 936.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 273.9±0.4 cm3
#H bond acceptors: 39
#H bond donors: 23
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -5.08
ACD/LogD (pH 5.5): -6.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 612 Å2
Polarizability: 108.6±0.5 10-24cm3
Surface Tension: 114.4±5.0 dyne/cm
Molar Volume: 727.8±5.0 cm3

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