ChemSpider 2D Image | beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc | C22H38N2O16

β-D-Galp-(1->3)-[β-D-GlcpNAc-(1->6)]-α-D-GalpNAc

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID26332556

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-α-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-α-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-O-[β-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galp-(1->3)-[β-D-GlcpNAc-(1->;6)]-α-D-GalpNAc
149793-99-7 [RN]
Galbeta1-3(GlcNAcbeta1-6)GalNAcalpha
GlcNAcb1-6(Galb1-3)GalNAca
GlcNAcbeta1-6(Galbeta1-3)GalNAcalpha
MFCD31562920
More...
  • Miscellaneous

    • Chemical Class:

      The trisaccharide <stereo>beta</stereo>-<stereo>D</stereo>-Gal-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-GlcNAc-(1<arrow>right</arrow>6)]-<stereo>D</stereo>-GalNAc with <stere o>alpha</stereo> configuration at the anomeric centre of the <element>N</element>-acetylglucosamine residue at the reducing end. ChEBI CHEBI:62158
      The trisaccharide beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc with alpha configuration at the anomeric centre of the N-acetylglucosamine residue at the reducing end. ChEBI CHEBI:62158
      The trisaccharide beta-D-Gal-(1right3)-[beta-D-GlcNAc-(1right6)]-D-GalNAc with alpha configuration at the anomeric centre of the N-acetylglucosamine residue at the reducing end. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62158

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1049.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.8±6.0 kJ/mol
Flash Point: 588.4±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.91
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 94.9±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

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