ChemSpider 2D Image | beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-D-GalNAc | C22H38N2O16

β-D-Gal-(1->3)-[β-D-GlcNAc-(1->6)]-D-GalNAc

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID8296673

  • defined stereocentres - 14 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-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
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-Gal-(1->3)-[β-D-GlcNAc-(1->6)]-D-GalNAc
(Gal)1 (GalNAc)1 (GlcNAc)1
Galbeta1-3(glcnacbeta1-6)galnac
missing
N-acetyl-β-D-glucosaminyl-(1->6)-[β-D-galactosyl-(1->3)]-N-acetyl-D-galactose
WURCS=2.0/3,3,2/[a2112h-1x1-52*NCC/3=O][a2112h-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-3/a3-b1a6-c1
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino trisaccharide comprising <element>N</element>-acetyl-<stereo>D</stereo>-galactose having a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl residue at the 3-position and a <element >N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl residue at the 6-position. ChEBI CHEBI:61581
      A branched amino trisaccharide comprising N-acetyl-D-galactose having a beta-D-galactosyl residue at the 3-position and a N-acetyl-beta-D-glucosaminyl residue at the 6-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61581, CHEBI:61581

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

Click to predict properties on the Chemicalize site


Advertisement