ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyr anose | C40H68N2O31

α-D-Mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyr anose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID128434240

  • defined stereocentres - 29 of 30 defined stereocentres

More details:

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

D-Glucopyranose, O-α-D-mannopyranosyl-(1->6)-O-[O-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4) -2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyr anose [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucop yranose [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucop yranose [French] [ACD/IUPAC Name]
Man(a1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc
Manalpha1-2Manalpha1-3(Manalpha1-6)Manbeta1-4GlcNAc1-4GlcNAc
Manalpha1-6(Manalpha1-2Manalpha1-3)Manbeta1-4GlcNAc1-4GlcNAc
missing
α-D-Man-(1->2)-α-D-Man-(1->3)-[α-D-Man-(1->6)]-β-D-Man-(1->4)-β-D-GlcNAc-(1->4)-D-GlcNAc
α-D-manno-hexopyranosyl-(1->2)-α-D-manno-hexopyranosyl-(1->3)-[α-D-manno-hexopyranosyl-(1->6)]-β-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseα-D-mannosyl-(1->6)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine
More...
  • Miscellaneous

    • Chemical Class:

      An amino hexasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 6 by an alpha-D-Man residue and at position 3 by a alp ha-D-Man-(1->2)-alpha-D-Man group. ChEBI CHEBI:155080

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1460.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 251.3±6.0 kJ/mol
Flash Point: 836.9±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -6.77
ACD/LogD (pH 5.5): -7.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 524 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 606.7±5.0 cm3

Click to predict properties on the Chemicalize site


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