ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxy-D-glucitol | C33H56N2O24

α-D-Mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deoxy-D-glucitol

  • Molecular FormulaC33H56N2O24
  • Average mass864.797 Da
  • Monoisotopic mass864.322327 Da
  • ChemSpider ID4450990

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

D-Glucitol, O-α-D-mannopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->2)]-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]
α-D-Mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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]
α-D-Mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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]
α-D-Mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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]
NAG-(4-1)NAG-(4-1)MAN-(2-1)XYS-(3,6-1)MAN

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1262.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 212.5±6.0 kJ/mol
Flash Point: 717.0±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 187.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.46
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 404 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 102.1±5.0 dyne/cm
Molar Volume: 512.5±5.0 cm3

Click to predict properties on the Chemicalize site


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