ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-alpha-D- mannopyranose | C40H68N2O31

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->4)-α-D- mannopyranose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID26332800

  • 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->4)- [ACD/Index Name]
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->4)-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->4)-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->4)-α- D-mannopyranose [French] [ACD/IUPAC Name]
a-D-mannopyranose
missing
α-D-Glc-(1->3)-[α-D-Glc-(1->3)-α-D-GalNAc-(1->4)-α-D-Glc-(1->4)]-α-D-GalNAc-(1->4)-α-D-Man
α-D-Glcp-(1->3)-[α-D-Glcp-(1->3)-α-D-GalpNAc-(1->;4)-α-D-Glcp-(1->;4)]-α-D-GalpNAc-(1->4)-α-D-Manp
α-D-glucopyranosyl-(1->3)-[α-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-alph
α-D-glucopyranosyl-(1->3)-[α-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->4)-α-D-mannopyranose
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide consisting of <stereo>alpha</stereo>-<stereo>D</stereo>-glucosyl-(1<arrow>right</arrow>3)-<element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactos aminyl-(1<arrow>right</arrow>4)-<stereo>alpha</stereo>-<stereo>D</stereo>-mannose having a <stereo>alpha</stereo>-<stereo>D</stereo>-glucosyl-(1<arrow>right</arrow>3)-<element>N</element>-acetyl-<ster eo>alpha</stereo>-<stereo>D</stereo>-galactosaminyl-(1<arrow>right</arrow>4)-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosyl group attached at the 4'-position (on the galactosaminyl residue). ChEBI CHEBI:62644
      A branched amino hexasaccharide consisting of alpha-D-glucosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->4)-alpha-D-mannose having a alpha-D-glucosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-(1->4)-alp ha-D-glucosyl group attached at the 4'-position (on the galactosaminyl residue). ChEBI CHEBI:62644
      A branched amino hexasaccharide consisting of alpha-D-glucosyl-(1right3)-N-acetyl-alpha-D-galactos; aminyl-(1right4)-alpha-D-mannose having a alpha-D-glucosyl-(1right3)-N-acetyl-alpha-D-galactosaminyl -(1right4)-alpha-D-glucosyl group attached at the 4'-position (on the galactosaminyl residue). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62644

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1401.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 239.5±6.0 kJ/mol
Flash Point: 801.3±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: -8.91
ACD/LogD (pH 5.5): -9.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.36
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

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