ChemSpider 2D Image | alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->3)-beta-D-GlcpNAc | C22H38N2O16

α-D-GlcpNAc-(1->4)-β-D-Galp-(1->3)-β-D-GlcpNAc

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID28533511

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;3)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-GlcpNAc-(1->4)-β-D-Galp-(1->3)-β-D-GlcpNAc
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
GlcNAca1-4Galb1-3GlcNAcb
GlcNAcalpha1-4Galbeta1-3GlcNAcbeta
missing
N-acetyl-α-D-glucosaminyl-(1->4)-β-D-galactosyl-(1->;3)-N-acetyl-α-D-glucosamine
WURCS=2.0/3,3,2/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a2122h-1a1-52*NCC/3=O]/1-2-3/a3-b1b4-c1
More...
  • Miscellaneous

    • Chemical Class:

      An amino trisaccharide consisting of <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosamine, <stereo>beta</stereo>-<stereo>D</stereo>-galactose and <element>N</element>-acet yl-<stereo>D</stereo>-glucosamine residues linked sequentially (1<arrow>right</arrow>4) and (1<arrow>right</arrow>3). ChEBI CHEBI:71273
      An amino trisaccharide consisting of N-acetyl-alpha-D-glucosamine, beta-D-galactose and N-acet; yl-D-glucosamine residues linked sequentially (1right4) and (1right3). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71273
      An amino trisaccharide consisting of N-acetyl-alpha-D-glucosamine, beta-D-galactose and N-acetyl-D-glucosamine residues linked sequentially (1->4) and (1->3). ChEBI CHEBI:71273

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1053.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.6±6.0 kJ/mol
Flash Point: 591.0±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: -4.52
ACD/LogD (pH 5.5): -4.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
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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