ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | C28H48N2O20

6-Deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranose

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID88294137

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-α-D-galactopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
Fuc(a1-2)Gal(b1-3)GalNAc(a1-3)a-GalNAc
missing
N-[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/3,4,3/[a2112h-1a1-52*NCC/3=O][a2112h-1b1-5][a1221m-1a1-5]/1-1-2-3/a3-b1b3-c1c2-d1
  • Miscellaneous

    • Chemical Class:

      A tetrasaccharide derivative consisting of alpha-L-fucose, beta-D-galactose and two N-acetyl-alpha-D-galactosamine residues joined in sequence by (1->2), (1->3) and (1->3) glycosidic bonds. ChEBI CHEBI:145635

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1143.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.6±6.0 kJ/mol
Flash Point: 645.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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