ChemSpider 2D Image | 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)]-alpha-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-L-Fuc-(1->3)]-D-GlcNAc | C61H102N4O44

β-D-GlcNAc-(1->2)-α-D-Man-(1->3)-[β-D-GlcNAc-(1->2)-α-D-Man-(1->6)]-[β-D-Xyl-(1->2)]-α-D-Man-(1->4)-β-D-GlcNAc-(1->4)-[α-L-Fuc-(1->3)]-D-GlcNAc

  • Molecular FormulaC61H102N4O44
  • Average mass1595.463 Da
  • Monoisotopic mass1594.586670 Da
  • ChemSpider ID26331676

  • defined stereocentres - 43 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-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-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-D-glucopyranose [French] [ACD/IUPAC Name]
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]
β-D-GlcNAc-(1->2)-α-D-Man-(1->3)-[β-D-GlcNAc-(1->;2)-α-D-Man-(1->6)]-[β-D-Xyl-(1->;2)]-α-D-Man-(1->;4)-β-D-GlcNAc-(1->4)-[α-L-Fuc-(1->3)]-D-GlcNAc
β-D-GlcpNAc-(1->2)-α-D-Manp-(1->3)-[β-D-GlcpNAc-(1->2)-α-D-Manp-(1->6)]-[β-D-Xylp-(1->2)]-β-D-Manp-(1->4)-β-D-GlcpNAc-(1->4)-[α-L-Fucp-(1->3)]-D-GlcpNAc
(GlcNAc)4 (LFuc)1 (Man)3 (Xyl)1
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
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-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranose
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-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyra
More...

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

CHEBI:59616 [DBID]
  • Miscellaneous

    • Chemical Class:

      A highly branched amino nonasaccharide consisting of a <stereo>D</stereo>-GlcNAc residue at the reducing end with a <stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>2)-<stereo>alp ha</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arro w>6)]-[<stereo>beta</stereo>-<stereo>D</stereo>-Xyl-(1<arrow>right</arrow>2)]-<stereo>beta</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc moie ty attached via a <stereo>beta</stereo>-(1<arrow>right</arrow>4)-linkage and an <stereo>L</stereo>-Fuc residue attached via an <stereo>alpha</stereo>-(1<arrow>right</arrow>3)-linkage. Found on Cry j 1 , the major allergen of <ital>Cryptomeria japonica</ital> pollen. ChEBI CHEBI:59616
      A highly branched amino nonasaccharide consisting of a 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 polle n. ChEBI CHEBI:59616
      A highly branched amino nonasaccharide consisting of a D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1right2)-alp; ha-D-Man-(1right3)-[beta-D-GlcNAc-(1right2)-alpha-D-Man-(1right6)]-[beta -D-Xyl-(1right2)]-beta-D-Man-(1right4)-beta-D-GlcNAc moie; ty attached via a beta-(1right4)-linkage and an L-Fuc residue attached via an alpha-(1right3)-linkage. Found on Cry j 1; , the major allergen of Cryptomeria japonica pollen. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59616

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: -3.87
ACD/LogD (pH 5.5): -5.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
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