ChemSpider 2D Image | GlcNAc2Man3GlcNAcFucGlcNAc | C56H94N4O40

GlcNAc2Man3GlcNAcFucGlcNAc

  • Molecular FormulaC56H94N4O40
  • Average mass1463.348 Da
  • Monoisotopic mass1462.544434 Da
  • ChemSpider ID24606133

  • defined stereocentres - 40 of 40 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-mannopyranosyl-(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-mannopyranosyl-(1->4)-2-acetami do-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-mannopyranosyl-(1->4)-2-acétami do-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]
6-Deoxy-α-L-galactopyranosyl-(1->6)-[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-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-g lucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->6)-[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-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)]-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D- glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->6)-[2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glu copyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->4)]-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-bêt a-D-glucopyranose [French] [ACD/IUPAC Name]
GlcNAc2Man3GlcNAcFucGlcNAc
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-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]
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->6)-O-[O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->3)-O-[O-2-deoxy-2-[[(1E)-1-hy droxyethylidene]amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[[ (1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
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-mannopyranosyl-(1->4)-2-acetamido
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  • Miscellaneous

    • Chemical Class:

      A branched amino octasaccharide derivative that is <stereo>beta</stereo>-<stereo>D</stereo>-Man-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>4)-<stere o>beta</stereo>-<stereo>D</stereo>-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by <stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>2)-<stereo>alpha</ste reo>-<stereo>D</stereo>-Man groups and the reducing-end <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residue is subsituted at position 6 by an <stereo>alpha</stereo >-<stereo>L</stereo>-fucosyl group. ChEBI CHEBI:71327
      A branched amino octasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by beta-D-GlcNAc-(1->2)-alpha-D- Man groups and the reducing-end N-acetyl-beta-D-glucosamine residue is substituted at position 6 by an alpha-L-fucosyl group. ChEBI CHEBI:71327
      A branched amino octasaccharide derivative that is beta-D-Man-(1right4)-beta-D-GlcNAc-(1right4)-beta</stereo>-D-GlcNAc in which the mannosyl group is substituted at positions 3 and 6 by beta-D-GlcNAc- (1right2)-<stereo>alpha-D-Man groups and the reducing-end N-acetyl-beta-D-glucosamine residue is subsituted at position 6 by an alpha-L-fucosyl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71327

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1653.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 291.9±6.0 kJ/mol
Flash Point: 953.9±37.1 °C
Index of Refraction: 1.721
Molar Refractivity: 293.7±0.5 cm3
#H bond acceptors: 44
#H bond donors: 25
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 694 Å2
Polarizability: 116.4±0.5 10-24cm3
Surface Tension: 83.9±7.0 dyne/cm
Molar Volume: 743.1±7.0 cm3

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