ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deox y-D-glucitol | C40H68N2O30

α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deox y-D-glucitol

  • Molecular FormulaC40H68N2O30
  • Average mass1056.963 Da
  • Monoisotopic mass1056.385742 Da
  • ChemSpider ID4451004

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

D-Glucitol, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(a cetylamino)-1,5-anhydro-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-1,5-anhydro-2-deox y-D-glucitol [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(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-des oxy-D-glucitol [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(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-dés oxy-D-glucitol [French] [ACD/IUPAC Name]
NAG-(4-1)NAG-(4-1)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: 1.7±0.1 g/cm3
Boiling Point: 1427.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 244.8±6.0 kJ/mol
Flash Point: 817.2±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 227.2±0.4 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -7.65
ACD/LogD (pH 5.5): -7.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 504 Å2
Polarizability: 90.1±0.5 10-24cm3
Surface Tension: 110.9±5.0 dyne/cm
Molar Volume: 609.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement