ChemSpider 2D Image | beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-D-GalpNAc | C22H38N2O16

β-D-Galp-(1->4)-β-D-GlcpNAc-(1->6)-D-GalpNAc

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID9976145

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

D-Galactopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;6)-2-acetamido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-2-acetamido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->4)-β-D-GlcpNAc-(1->6)-D-GalpNAc
Galb1-4GlcNAcb1-6GalNAc
Galbeta1-4GlcNAcbeta1-6GalNAc
missing
O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-D-galactopyranose
WURCS=2.0/3,3,2/[a2112h-1x1-52*NCC/3=O][a2122h-1b1-52*NCC/3=O][a2112h-1b1-5]/1-2-3/a6-b1b4-c1
More...
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide comprised of a linear sequence of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine and <eleme nt>N</element>-acetyl-<stereo>D</stereo>-galactosamine linked (1<arrow>right</arrow>4) and (1<arrow>right</arrow>6). ChEBI CHEBI:85406
      An amino trisaccharide comprised of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-D-galactosamine linked (1->4) and (1->6). ChEBI CHEBI:85406
      An amino trisaccharide comprised of a linear sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-D-galactosamine linked (1right4) and (1right6). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85406

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1057.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.2±6.0 kJ/mol
Flash Point: 593.3±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: -5.19
ACD/LogD (pH 5.5): -5.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
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