ChemSpider 2D Image | beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->3)-beta-D-GalpNAc-(1->4)-alpha-D-Glcp-(1->4)]-beta-D-GalpNAc-(1->3)-alpha-D-Manp | C40H68N2O31

β-D-Glcp-(1->3)-[β-D-Glcp-(1->3)-β-D-GalpNAc-(1->4)-α-D-Glcp-(1->4)]-β-D-GalpNAc-(1->3)-α-D-Manp

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID29368465

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

α-D-Mannopyranose, O-β-D-glucopyranosyl-(1->3)-O-[O-β-D-glucopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-O-2-(acetylamino)-2-deox y-β-D-galactopyranosyl-(1->3)- [ACD/Index Name]
β-D-Glcp-(1->3)-[β-D-Glcp-(1->3)-β-D-GalpNAc-(1->;4)-α-D-Glcp-(1->;4)]-β-D-GalpNAc-(1->3)-α-D-Manp
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D- mannopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α- D-mannopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α- D-mannopyranose [French] [ACD/IUPAC Name]
Mannopyranose
missing
PS-II
β-D-Glc-(1->3)-[β-D-Glc-(1->3)-β-D-GalNAc-(1->4)-α-D-Glc-(1->4)]-β-D-GalNAc-(1->3)-α-D-Man
β-D-Glcp-(1->3)-β-D-GalpNAc-(1->4)-α-D-Glcp-(1->4)-[β-D-Glcp-(1->;3)]-β-D-GalpNAc-(1->3)-α-D-Manp
More...
  • Miscellaneous

    • Chemical Class:

      An amino hexasaccharide comprising <stereo>beta</stereo>-<stereo>D</stereo>-glucose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosamine, <stereo>alpha</stereo>-<stereo> D</stereo>-glucose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosamine and <stereo>alpha</stereo>-<stereo>D</stereo>-mannose residues in (1<arrow>right</arrow>3), (1<ar row>right</arrow>4), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>3) sequence, to the <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosamine residue contiguous to the reducing-end mannose residue of which is also linked (1<arrow>right</arrow>3) a further <stereo>beta</stereo>-<stereo>D</stereo>-glucose residue. ChEBI CHEBI:74982
      An amino hexasaccharide comprising beta-D-glucose, N-acetyl-beta-D-galactosamine, alpha-; D-glucose, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues in (1right3), (1right4), (1right4) and ( 1right3) sequence, to the N-acetyl-beta-D-galactosamine residue contiguous to the; reducing-end mannose residue of which is also linked (1right3) a further beta-D-glucose residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74982
      An amino hexasaccharide comprising beta-D-glucose, N-acetyl-beta-D-galactosamine, alpha-D-glucose, N-acetyl-beta-D-galactosamine and alpha-D-mannose residues in (1->3), (1->4), (1->4) and (1->3) seque nce, to the N-acetyl-beta-D-galactosamine residue contiguous to the reducing-end mannose residue of which is also linked (1->3) a further beta-D-glucose residue. ChEBI CHEBI:74982

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1414.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 242.0±6.0 kJ/mol
Flash Point: 809.0±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -11.70
ACD/LogD (pH 5.5): -11.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 524 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 606.7±5.0 cm3

Click to predict properties on the Chemicalize site


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