ChemSpider 2D Image | Man6GlcNAc-III | C44H75NO36

Man6GlcNAc-III

  • Molecular FormulaC44H75NO36
  • Average mass1194.051 Da
  • Monoisotopic mass1193.406860 Da
  • ChemSpider ID24606112

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

Man6GlcNAc-III
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deo xy-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-des oxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;3)]-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-dés oxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->6)-O-[O-α-D-mannopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->3)]-α-D-mannopyranosyl-(1->6)]-O-β-D-manno
 pyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
Man-α-1-6(Man-α-1-2Man-α-1-3)Man-α-1-6(Man-α-1-3)Man-β-1-4GlcNAc

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1522.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 264.2±6.0 kJ/mol
Flash Point: 874.8±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 250.9±0.4 cm3
#H bond acceptors: 37
#H bond donors: 23
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -8.74
ACD/LogD (pH 5.5): -9.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 594 Å2
Polarizability: 99.5±0.5 10-24cm3
Surface Tension: 127.8±5.0 dyne/cm
Molar Volume: 650.6±5.0 cm3

Click to predict properties on the Chemicalize site


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