ChemSpider 2D Image | beta-D-Galp-(1->3)-D-GalpNAc-(1->3)-D-GalpNAc | C22H38N2O16

β-D-Galp-(1->3)-D-GalpNAc-(1->3)-D-GalpNAc

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID26332375

  • defined stereocentres - 13 of 15 defined stereocentres

More details:

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

D-Galactopyranose, O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranosyl-(1->;3)-2-acetamido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acetamido-2-desoxy-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-2-acétamido-2-désoxy-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->3)-D-GalpNAc-(1->3)-D-GalpNAc
missing
β-D-Gal-(1->3)-D-GalNAc-(1->3)-D-GalNAc
β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-galactopyranose
β-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-(1->;3)-N-acetyl-D-galactosamine
  • Miscellaneous

    • Chemical Class:

      A linear amino trisaccharide consisting of a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl residue linked (1<arrow>right</arrow>3) to an <element>N</element>-acetyl-<stereo>D</stereo>-glucosamin yl residue, which is in turn linked (1<arrow>right</arrow>3) to <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine at the reducing end. ChEBI CHEBI:61787
      A linear amino trisaccharide consisting of a beta-D-galactosyl residue linked (1->3) to an N-acetyl-D-glucosaminyl residue, which is in turn linked (1->3) to N-acetyl-D-glucosamine at the reducing end . ChEBI CHEBI:61787
      A linear amino trisaccharide consisting of a beta-D-galactosyl residue linked (1right3) to an N-acetyl-D-glucosamin; yl residue, which is in turn linked (1right3) to N-acetyl-D-glucosamine at the redu cing end. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61787

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1045.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.1±6.0 kJ/mol
Flash Point: 586.1±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: -4.81
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
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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