ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->6)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose | C28H48N2O20

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->6)-[6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID88294419

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->6)-[6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->6)-[6-desoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->6)-[6-désoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->6)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
6-deoxy-α-L-galacto-hexopyranosyl-(1->2)-β-D-galacto-hexopyranosyl-(1->;3)-[2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1->;6)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranose
missing
N-[(2R,3R,4R,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-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-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/4,4,3/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a1221m-1a1-5][a2112h-1b1-52*NCC/3=O]/1-2-3-4/a3-b1a6-d1b2-c1
  • Miscellaneous

    • Chemical Class:

      An amino tetrasaccharide that is alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc in which the hydroxy group at position 6 of the acetamidoglucosyl group has been glycosylated by a 2-acetamido-be ta-D-galactopyranosyl group. ChEBI CHEBI:147734

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1147.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 191.2±6.0 kJ/mol
Flash Point: 647.5±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: -1.91
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
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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