ChemSpider 2D Image | GlcNAc2Man2XylManGlcNAcFucGlcNAc | C61H102N4O44

GlcNAc2Man2XylManGlcNAcFucGlcNAc

  • Molecular FormulaC61H102N4O44
  • Average mass1595.463 Da
  • Monoisotopic mass1594.586670 Da
  • ChemSpider ID24606154

  • 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->3)]-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->3)]-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->3)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
6-Deoxy-α-L-galactopyranosyl-(1->3)-[2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucop yranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[(E)-(1-hyd roxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-gluco pyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)]-2-desoxy-2-[(E)-(1-h ydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
GlcNAc2Man2XylManGlcNAcFucGlcNAc
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->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
GlcNAcbeta1-2Manalpha1-6(GlcNAcbeta1-2Manalpha1-3)(Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-3)GlcNAcbeta
GlcNAc-β-1-2Man-α-1-6(GlcNAc-β-1-2Man-α-1-3)(Xyl-β-1-2)Man-β-1-4GlcNAc-β-1-4(Fuc-α-1-3)GlcNAc
missing
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  • Miscellaneous

    • Chemical Class:

      A highly 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)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage. Found on Cry j 1, the major allergen of Cryptomeria japonica pollen. ChEBI CHEBI:155731

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 318.7±0.5 cm3
#H bond acceptors: 48
#H bond donors: 27
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -0.20
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 753 Å2
Polarizability: 126.3±0.5 10-24cm3
Surface Tension: 85.5±7.0 dyne/cm
Molar Volume: 801.5±7.0 cm3

Click to predict properties on the Chemicalize site


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