ChemSpider 2D Image | 6-Deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | C28H48N2O20

6-Deoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranose

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID88294268

  • 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->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galactopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-2-acetamido-2-desoxy-α-D-galactopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-2-acétamido-2-désoxy-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
6-deoxy-α-L-galacto-hexopyranosyl-(1->3)-[β-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-α-D-galacto-hexopyranose
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)a-GalNAc
Galb1-4(Fuca1-3)GlcNAcb1-3GalNAca
Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3GalNAcalpha
missing
N-[(2S,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideWURCS=2.0/4,4,3/[a2112h-1a1-52*NCC/3=O][a2122h-1b1-52*NCC/3=O][a1221m-1a1-5][a2112h-1b1-5]/1-2-3-4/a3-b1b3-c1b4-d1
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  • Miscellaneous

    • Chemical Class:

      An amino tetrasaccharide that is 2-acetamido-3-O-(2-acetamido-beta-D-glucopyranosyl)-2-deoxy-alpha-D-galactopyranose in which the 2-acetamido-beta-D-glucopyranosyl moiety has been glycosylated at posi tions 3 and 4 by alpha-L-fucosyl and beta-D-galactopyranosyl groups, respectively. ChEBI CHEBI:146687

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1121.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.6±6.0 kJ/mol
Flash Point: 632.2±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: -4.15
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
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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