ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-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-beta-D-glucopyranose | C46H78N2O36

α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-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-β-D-glucopyranose

  • Molecular FormulaC46H78N2O36
  • Average mass1235.103 Da
  • Monoisotopic mass1234.433472 Da
  • ChemSpider ID4451021
  • defined stereocentres - 35 of 35 defined stereocentres


More details:






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

α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-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-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-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-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-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-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->2)-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]
NAG-(4-1)NAG-(4-1)MAN-(6-1)MAN-(6-1)MAN-(2-1)MAN-(3,3-1)MAN

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1566.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 273.3±6.0 kJ/mol
Flash Point: 901.4±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 262.4±0.4 cm3
#H bond acceptors: 38
#H bond donors: 23
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -7.44
ACD/LogD (pH 5.5): -8.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 603 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 120.6±5.0 dyne/cm
Molar Volume: 689.2±5.0 cm3

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