ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-[beta-D-xylopyranosyl-(1->2)]-beta-D-man
nopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranose | C61H102N4O44

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-man nopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC61H102N4O44
  • Average mass1595.463 Da
  • Monoisotopic mass1594.586670 Da
  • ChemSpider ID128920057
  • defined stereocentres - 44 of 44 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-man nopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-m annopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->6)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-m annopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->6)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-O- [β-D-xylopyranosyl-(1->2)]-O-β-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->6)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
missing
  • Miscellaneous
    • Chemical Class:

      A branched amino nonasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-b eta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an alpha-L-Fuc residue attached via an alpha-(1->6)-linkage. ChEBI CHEBI:152575

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 345.2±0.4 cm3
#H bond acceptors: 48
#H bond donors: 27
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -4.20
ACD/LogD (pH 5.5): -6.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 739 Å2
Polarizability: 136.8±0.5 10-24cm3
Surface Tension: 111.5±5.0 dyne/cm
Molar Volume: 920.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement