ChemSpider 2D Image | beta-D-GalpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc | C22H38N2O15

β-D-GalpNAc-(1->4)-[α-L-Fucp-(1->3)]-β-D-GlcpNAc

  • Molecular FormulaC22H38N2O15
  • Average mass570.542 Da
  • Monoisotopic mass570.227234 Da
  • ChemSpider ID28533189

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-GalpNAc-(1->4)-[α-L-Fucp-(1->;3)]-β-D-GlcpNAc
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->;3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[α-L-fucopyranosyl-(1->;3)]-2-acetamido-2-deoxy-β-D-glucopyranose
GalNAcb1-4(Fuca1-3)GlcNAcb
GalNAcbeta1-4(Fucalpha1-3)GlcNAcbeta
missing
More...
  • Miscellaneous

    • Chemical Class:

      <stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>4)-[<stereo>alpha</stereo>-<stereo>L</stereo>-Fuc<ringsugar>p</ringsugar>-(1<arrow>right</arrow>3)]-<stere o>D</stereo>-Glc<ringsugar>p</ringsugar>NAc with <stereo>beta</stereo> configuration at the anomeric centre. ChEBI CHEBI:68446
      An amino trisaccharide comprising an acetamido-beta-D-galactose and an alpha-L-fucose attached to an acetamidoglucose by 1->4 and 1->3 linkages, respectively. beta-D-GalpNAc-(1->4)-[alpha-L-Fucp-(1-> 3)]-D-GlcpNAc with beta configuration at the anomeric centre. ChEBI CHEBI:68446
      beta-D-GalpNAc-(1right4)-[alpha-L-Fucp-(1right3)]-D-GlcpNAc with beta configuration at the anomeric centre. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68446

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

Density: 1.6±0.1 g/cm3
Boiling Point: 976.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.4±6.0 kJ/mol
Flash Point: 544.6±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.36
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.26
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 266 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

Click to predict properties on the Chemicalize site


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