ChemSpider 2D Image | blood group A trisaccharide | C20H35NO15

blood group A trisaccharide

  • Molecular FormulaC20H35NO15
  • Average mass529.490 Da
  • Monoisotopic mass529.200684 Da
  • ChemSpider ID26333167

  • defined stereocentres - 14 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)]-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-D-galactopyranose [French] [ACD/IUPAC Name]
49777-13-1 [RN]
blood group A trisaccharide
D-Galactopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->;2)]- [ACD/Index Name]
α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->;2)]-D-Galp
<i>N</i>;-acetyl-&α;-D-galactosaminyl-(1,3)-[&α;-L-fucosyl-(1,2)]-D-galactose
?-TRI
2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)]-D-galactopyranose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6026899 [DBID]
  • Miscellaneous

    • Chemical Class:

      A branched amino trisaccharide consisting of <stereo>D</stereo>-galactose having an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl residue at the 2-position and an <element>N</element>-acetyl-<ster eo>alpha</stereo>-<stereo>D</stereo>-galactosaminyl residue at the 3-position. ChEBI CHEBI:35930
      A branched amino trisaccharide consisting of 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 https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35930, CHEBI:35930

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

Click to predict properties on the Chemicalize site


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