ChemSpider 2D Image | LEWIS A HEPTASACCHARIDE | C46H78N2O34

LEWIS A HEPTASACCHARIDE

  • Molecular FormulaC46H78N2O34
  • Average mass1203.104 Da
  • Monoisotopic mass1202.443604 Da
  • ChemSpider ID26332810

  • defined stereocentres - 34 of 35 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-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucop yranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-gl ucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-gl ucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [French] [ACD/IUPAC Name]
76472-96-3 [RN]
blood group A heptasaccharide
blood group A-heptasaccharide
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->2)]-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-O-2- (acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
IV2Fuc,IV3aGalNAc,III4Fuc-LcOse4
LEWIS A HEPTASACCHARIDE
α-L-Fucp-(1->2)-[α-D-GalpNAc-(1->;3)]-β-D-Galp-(1->3)-[α-L-Fucp-(1->4)]-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-D-Glcp
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:62673 [DBID]
  • Miscellaneous

    • Chemical Class:

      A branched heptasaccharide derivative consisting of the tetrasaccharide derivative <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>3)-<element>N</element>-acetyl-<stereo>beta </stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>D</stereo>-glucose where the galactosyl residue at the non-reducing end has <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl and <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosaminyl residues attached at the 2- and 3 -positions respectively and the glucosaminyl residue has an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl residue attached at the 4-position. ChEBI CHEBI:62673
      A branched heptasaccharide derivative consisting of the tetrasaccharide derivative beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose where the galactosyl residue at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3-positions respectively and the glucosaminyl residue has an alpha-L-fucosyl res idue attached at the 4-position. ChEBI CHEBI:62673
      A branched heptasaccharide derivative consisting of the tetrasaccharide derivative beta-D-galactosyl-(1right3)-N-acetyl-beta; -D-glucosaminyl-(1right3)-beta-D-galactosyl-(1right4)-D-glucose where the galactosyl residue ; at the non-reducing end has alpha-L-fucosyl and N-acetyl-alpha-D-galactosaminyl residues attached at the 2- and 3; -positions respectively and the glucosaminyl residue has an alph a-L-fucosyl residue attached at the 4-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62673

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1457.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 250.8±6.0 kJ/mol
Flash Point: 835.4±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 259.3±0.4 cm3
#H bond acceptors: 36
#H bond donors: 21
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.98
ACD/LogD (pH 5.5): -3.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 563 Å2
Polarizability: 102.8±0.5 10-24cm3
Surface Tension: 109.8±5.0 dyne/cm
Molar Volume: 695.1±5.0 cm3

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