ChemSpider 2D Image | GlcNAc2Man3GlcNAc2 | C50H84N4O36

GlcNAc2Man3GlcNAc2

  • Molecular FormulaC50H84N4O36
  • Average mass1317.207 Da
  • Monoisotopic mass1316.486572 Da
  • ChemSpider ID24606128

  • defined stereocentres - 35 of 35 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)-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)-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)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
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-glucopyranosyl-(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-glucopyranose [ACD/IUPAC Name]
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-glucopyranosyl-(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]
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-glucopyranosyl-(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]-β-D-glucopyranose [French] [ACD/IUPAC Name]
GlcNAc2Man3GlcNAc2
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)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranose, 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-hydroxyethylidene]amino]-β-D-glucopyranosyl- (1->;2)-α-D-mannopyranosyl-(1->6)]-O-β-D-mannopyranosyl-(1->4)-O-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:

      An amino heptasaccharide consisting of two <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-mannose disaccharide units linked (1<arrow>right</arrow>3) and (1<arrow>right</arrow>6) to the mannose residue of a <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl-(1<arrow>right</arrow>4)-<element>N</eleme nt>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine trisaccharide. The anomer of <stereo>beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-Man<ringsugar>p</ringsugar>-(1<arrow>right</arrow>3)-[<stereo >beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>2)-<stereo>alpha</stereo>-<stereo>D</stereo>-Man<ringsugar>p</ringsugar>-(1<arrow>right</arrow>6)]-<stereo>beta</ stereo>-<stereo>D</stereo>-Man<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>4)-<stereo>D</stereo>-Glc<ringsugar>p</ringsu gar>NAc in which the configuration at the anomeric centre of the reducing-end <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residue is <locant>beta</locant>. ChEBI CHEBI:71325
      An amino heptasaccharide consisting of two N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannose disaccharide units linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-b eta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine trisaccharide. The anomer of beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-GlcpNAc -(1->4)-D-GlcpNAc in which the configuration at the anomeric centre of the reducing-end N-acetyl-D-glucosamine residue is beta. ChEBI CHEBI:71325
      An amino heptasaccharide consisting of two N-acetyl-beta-D-glucosaminyl-(1right2)-alpha-D-mannose ; disaccharide units linked (1right3) and (1right6) to the mannose residue of a beta-D-mannosyl-(1righ t4)-N-acetyl-beta-D-glucosaminyl-(1right4)-N-acetyl-beta-D-glucosamine trisaccharide. The anomer of beta-D-GlcpNAc-(1right2)-alpha-D-Manp-(1right3)-[beta</stereo>-D-GlcpNAc-(1right2)-alpha-D-Manp-(1ri ght6)]-<stereo>beta-D-Manp-(1right4)-beta-GlcpNAc-(1right4)-D-GlcpNAc in which the configuration at the anomeric centre of the reducing-end N-acetyl-D-glucosamine residue is beta. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71325

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1580.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 276.3±6.0 kJ/mol
Flash Point: 909.9±37.1 °C
Index of Refraction: 1.719
Molar Refractivity: 264.3±0.5 cm3
#H bond acceptors: 40
#H bond donors: 23
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -2.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 635 Å2
Polarizability: 104.8±0.5 10-24cm3
Surface Tension: 84.5±7.0 dyne/cm
Molar Volume: 669.5±7.0 cm3

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