ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyr anose | C39H66N2O30

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

  • Molecular FormulaC39H66N2O30
  • Average mass1042.937 Da
  • Monoisotopic mass1042.369995 Da
  • ChemSpider ID28184640

  • defined stereocentres - 28 of 29 defined stereocentres

More details:

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

D-Glucopyranose, O-α-D-mannopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->2)]-O-β-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)] -2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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->3)-[α-D-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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->3)-[α-D-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-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]
anose
missing
α-D-Man-(1->3)-[α-D-Man-(1->6)-[β-D-Xyl-(1->2)]-β-D-Man-(1->4)-β-D-GlcNAc-(1->4)]-D-GlcNAc
α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyr
α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyranose
α-D-mannosyl-(1->;3)-[α-D-mannosyl-(1->6)-[β-D-xylosyl-(1->2)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)]-N-acetyl-D-glucosamine
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-<stereo>alpha</stereo>(1<arrow>right</arrow>6)-[Xyl-<stereo>beta</stereo>(1<arrow>right</arrow>2)]-Man-<st ereo>beta</stereo>(1<arrow>right</arrow>4)-GlcNAc moiety attached via a <stereo>beta</stereo>-(1<arrow>right</arrow>4)-linkage and a Man residue attached via an <stereo>alpha</stereo>-(1<arrow>right</ arrow>3)-linkage. ChEBI CHEBI:64453
      A branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-alpha(1->6)-[Xyl-beta(1->2)]-Man-beta(1->4)-GlcNAc moiety attached via a beta-(1->4)-linkage and a Man res idue attached via an alpha-(1->3)-linkage. ChEBI CHEBI:64453
      A branched amino hexasaccharide consisting of a GlcNAc residue at the reducing end with a Man-alpha(1right6)-[Xyl-beta(1right2)]-Man-beta</stereo>(1right4)-GlcNAc moiety attached via a beta-(1right4)- linkage and a Man residue attached via an alpha-(1<arrow>right3)-linkage. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64453

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1393.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 238.0±6.0 kJ/mol
Flash Point: 796.8±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 32
#H bond donors: 19
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -6.24
ACD/LogD (pH 5.5): -7.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 504 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 113.6±5.0 dyne/cm
Molar Volume: 593.1±5.0 cm3

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