ChemSpider 2D Image | alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp | C20H35NO15

α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->2)]-β-D-Galp

  • Molecular FormulaC20H35NO15
  • Average mass529.490 Da
  • Monoisotopic mass529.200684 Da
  • ChemSpider ID26332078

  • 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-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->;2)]-β-D-Galp
β-D-Galactopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->2)]- [ACD/Index Name]
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->;2)]-β-D-galactopyranose
2-acetamido-2-deoxy-α-D-galactosyl-(1->3)-[6-deoxy-α-L-galactosyl-(1->2)]-β-D-galactose
blood group A trisaccharide
blood group A type 1 trisaccharide
GalNAc1-3(Fucalpha1-2)Galbeta
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino trisaccharide consisting of <stereo>beta</stereo>-<stereo>D</stereo>-galactose having an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl residue at the 2-position and an <element>N< /element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosaminyl residue at the 3-position. ChEBI CHEBI:61012
      A branched amino trisaccharide consisting of beta-D-galactose having an alpha-L-fucosyl residue at the 2-position and an <element>N<; /element>-acetyl-alpha-D-galactosaminyl residue at the 3-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61012
      A branched amino trisaccharide consisting of beta-D-galactose having an alpha-L-fucosyl residue at the 2-position and an N-acetyl-alpha-D-galactosaminyl residue at the 3-position. ChEBI CHEBI:61012

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

Density: 1.7±0.1 g/cm3
Boiling Point: 917.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.5±6.0 kJ/mol
Flash Point: 508.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 257 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 94.8±5.0 dyne/cm
Molar Volume: 320.6±5.0 cm3

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