ChemSpider 2D Image | Man4GlcNAc2-II | C40H68N2O31

Man4GlcNAc2-II

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID24606138

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

Man4GlcNAc2-II
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-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-glu copyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-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-g lucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-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-g lucopyranose [French] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->4)-2-deoxy -2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)-2-desox y-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->;4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->4)-2-déso xy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-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]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-bet a-D-glucopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-4GlcNAc-β-1-4GlcNAc

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1421.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 243.4±6.0 kJ/mol
Flash Point: 813.3±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 209.7±0.5 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -5.41
ACD/LogD (pH 5.5): -6.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 531 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 89.4±7.0 dyne/cm
Molar Volume: 526.5±7.0 cm3

Click to predict properties on the Chemicalize site


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