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

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

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID26332743

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-GalpNAc-(1->3)-β-D-Galp-(1->3)-D-GlcpNAc
(Gal)1 (GalNAc)1 (GlcNAc)1
85304-86-5 [RN]
GalNAc(α1->3)Gal-(β1->3)GlcNAc
missing
N-acetyl-α-D-galactosaminyl-(1->3)-β-D-galactosyl-(1->3)-N-acetyl-D-glucosamine
More...
  • Miscellaneous

    • Chemical Class:

      A amino trisaccharide consisting of <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine having an <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosaminyl-(1<arrow>r ight</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl group attached at the 3-position. ChEBI CHEBI:62516
      A amino trisaccharide consisting of N-acetyl-D-glucosamine having an N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl group attached at the 3-position. ChEBI CHEBI:62516
      A amino trisaccharide consisting of N-acetyl-D-glucosamine having an N-acetyl-alpha-D-galactosaminyl-(1r; ight3)-beta-D-galactosyl group attached at the 3-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62516

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1071.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 177.8±6.0 kJ/mol
Flash Point: 602.0±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: -2.25
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
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

Click to predict properties on the Chemicalize site


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