ChemSpider 2D Image | Man2XylManGlcNAcFucGlcNAc | C45H76N2O34

Man2XylManGlcNAcFucGlcNAc

  • Molecular FormulaC45H76N2O34
  • Average mass1189.078 Da
  • Monoisotopic mass1188.427979 Da
  • ChemSpider ID24606153

  • defined stereocentres - 34 of 34 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyrano syl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Deoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->;6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)am ino]-β-D-glucopyranosyl-(1->4)]-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyra nosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyra nosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-β-D-mannopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)a mino]-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->3)-[α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-[β-D-xylopyranosyl-(1->2)]-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]
Man2XylManGlcNAcFucGlcNAc
α-D-Man-(1->6)-[α-D-Man-(1->3)]-[β-D-Xyl-(1->2)]-β-D-Man-(1->4)-β-D-GlcNAc-(1->4)-[α-L-Fuc-(1->3)]-β-D-GlcNAc
α-Man-(1->6)-[α-Man-(1->3)]-[β-Xyl-(1-4)]-β-Man-(1->4)-β-GlcNAc-(1->4)-[α-Fuc-(1->3)]-β-GlcNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]-O-[β-D-xylopyranosyl-(1->2)]-O-β-D-mannopyranosyl-(1->4)-2-(a cetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
More...

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

CHEBI:59034 [DBID]
  • Miscellaneous

    • Chemical Class:

      A branched amino heptasaccharide consisting of a linear chain of an <stereo>alpha</stereo>-<stereo>D</stereo>-mannose residue, a <stereo>beta</stereo>-<stereo>D</stereo>-mannose residue and two <eleme nt>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residues linked sequentially (1<arrow>right</arrow>6), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4), to the <stereo> alpha</stereo>-<stereo>D</stereo>-mannose residue of which are linked (1<arrow>right</arrow>3) and (1<arrow>right</arrow>2) <stereo>alpha</stereo>-<stereo>D</stereo>-mannose and <stereo>beta</stereo>- <stereo>D</stereo>-xylose residues respectively, while the <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residue at the reducing end also carries an <stereo>alpha</s tereo>-<stereo>L</stereo>-fucose residue via a (1<arrow>right</arrow>3) linkage. It forms the heptasaccharide portion of the <element>N</element>-glycan phytohemaglutinin (PHA). ChEBI CHEBI:59034
      A branched amino heptasaccharide consisting of a linear chain of an alpha-D-mannose residue, a beta-D-mannose residue and two N-acetyl-beta-D-glucosamine residues linked sequentially (1->6), (1->4) an d (1->4), to the alpha-D-mannose residue of which are linked (1->3) and (1->2) alpha-D-mannose and beta-D-xylose residues respectively, while the N-acetyl-beta-D-glucosamine residue at the reducing en d also carries an alpha-L-fucose residue via a (1->3) linkage. It forms the heptasaccharide portion of the N-glycan phytohemaglutinin (PHA). ChEBI CHEBI:59034
      A branched amino heptasaccharide consisting of a linear chain of an alpha-D-mannose residue, a beta-D-mannose residue and two N-acetyl-beta-D-glucosamine residues linked sequentially (1right6), (1righ t4) and (1right4), to the alpha-D-mannose residue of which are linked (1right3) and (1right2) alpha-D-mannose and beta-; D-xylose residues respectively, while the N-acetyl-beta-D-glucosamine residue a t the reducing end also carries an alpha-L-fucose residue via a (1right3) linkage. It forms the heptasaccharide portion of the N-glycan phytohemaglutinin (PHA). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59034

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1421.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 243.4±6.0 kJ/mol
Flash Point: 813.2±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 233.6±0.5 cm3
#H bond acceptors: 36
#H bond donors: 21
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.21
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 570 Å2
Polarizability: 92.6±0.5 10-24cm3
Surface Tension: 87.2±7.0 dyne/cm
Molar Volume: 587.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement