ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D
-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose | C62H104N4O46

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D -mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucose

  • Molecular FormulaC62H104N4O46
  • Average mass1641.488 Da
  • Monoisotopic mass1640.592163 Da
  • ChemSpider ID62846410
  • defined stereocentres - 44 of 44 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->3)]-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α-D -mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;4)-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-[2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α -D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-[2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-α -D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D -mannopyranosyl-(1->6)]-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]
84182-21-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1875.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 341.5±6.0 kJ/mol
Flash Point: 1087.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 353.5±0.4 cm3
#H bond acceptors: 50
#H bond donors: 29
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: -8.17
ACD/LogD (pH 5.5): -9.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 787 Å2
Polarizability: 140.1±0.5 10-24cm3
Surface Tension: 115.7±5.0 dyne/cm
Molar Volume: 939.7±5.0 cm3

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