ChemSpider 2D Image | alpha-D-Galp-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp | C26H45NO21

α-D-Galp-(1->3)-β-D-Galp-(1->3)-β-D-GlcpNAc-(1->2)-α-D-Manp

  • Molecular FormulaC26H45NO21
  • Average mass707.630 Da
  • Monoisotopic mass707.248413 Da
  • ChemSpider ID58145656

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranose [French] [ACD/IUPAC Name]
α-D-Galp-(1->3)-β-D-Galp-(1->3)-β-D-GlcpNAc-(1->2)-α-D-Manp
α-D-Mannopyranose, O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)- [ACD/Index Name]
Gala1-3Galb1-3GlcNAcb1-2Mana
Galalpha1-3Galbeta1-3GlcNAcbeta1-2Manalpha
missing
α-D-Gal-(1->3)-β-D-Gal-(1->3)-β-D-GlcNAc-(1->2)-α-D-Man
α-D-galactosyl-(1->3)-β-D-galactosyl-(1->3)-N-acetyl-β-D-glucosaminyl-(1->2)-α-D-mannose
  • Miscellaneous

    • Chemical Class:

      An amino tetrasaccharide comprising <stereo>alpha</stereo>-<stereo>D</stereo>-galactose, <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D </stereo>-glucosamine and (at the reducing end) <stereo>alpha</stereo>-<stereo>D</stereo>-mannose residues linked sequentially (1<arrow>right</arrow>3), (1<arrow>right</arrow>3) and (1<arrow>right</ar row>2). ChEBI CHEBI:87813
      An amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D; -glucosamine and (at the reducing end) alpha-D-mannose residues linked sequentially (1right3), (1right3) and ( 1right2). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87813
      An amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) alpha-D-mannose residues linked sequentially (1->3), (1->3) and (1->2). ChEBI CHEBI:87813

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1139.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.8±6.0 kJ/mol
Flash Point: 642.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.33
ACD/LogD (pH 5.5): -5.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 113.0±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site


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