ChemSpider 2D Image | Man4GlcNAc-III | C32H55NO26

Man4GlcNAc-III

  • Molecular FormulaC32H55NO26
  • Average mass869.770 Da
  • Monoisotopic mass869.301208 Da
  • ChemSpider ID24606102

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

Man4GlcNAc-III
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-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-acetamido-2-desoxy-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-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->3)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-4GlcNAc
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-5GlcNAc
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-6GlcNAc
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-7GlcNAc
Man-α-1-3Man-α-1-6(Man-α-1-3)Man-β-1-8GlcNAc
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1291.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 218.1±6.0 kJ/mol
Flash Point: 735.0±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 183.5±0.4 cm3
#H bond acceptors: 27
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.59
ACD/LogD (pH 5.5): -6.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 436 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 119.1±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

Click to predict properties on the Chemicalize site


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