ChemSpider 2D Image | Difucosyllacto-N-hexaose | C52H88N2O39

Difucosyllacto-N-hexaose

  • Molecular FormulaC52H88N2O39
  • Average mass1365.245 Da
  • Monoisotopic mass1364.496460 Da
  • ChemSpider ID26332820

  • defined stereocentres - 39 of 40 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->6)-[6-deoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-ac etamido-2-deoxy-β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-[6-desoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2 -acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->;4)-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-[6-désoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2 -acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->;4)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[β-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->4)-O-[bet a-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)]-O-β-D-galactopyranosyl-(1->;4)- [ACD/Index Name]
Difucosyllacto-N-hexaose
(Gal)3 (Glc)1 (GlcNAc)2 (LFuc)2
6-deoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-[6-deoxy-α-L-galactopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)-D-glucopyranoseFucalpha1-3(Galbeta1-4)GlcNAcbeta1-6[Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3]Galbeta1-4Glc
98359-76-3 [RN]
Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6[Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3]Galbeta1-4Glc
-glucopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)-D-glucopyranose
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino octasaccharide consisting of a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>D</stereo>-glucose moiety with the galactosyl residue having an <st ereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>3)]-<element>N</element>-acetyl-<stereo>beta</stereo> -<stereo>D</stereo>-glucosaminyl group attached at the 3-position and an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>3)-[<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl -(1<arrow>right</arrow>4)]-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl group at the 6-position. ChEBI CHEBI:62693
      A branched amino octasaccharide consisting of a beta-D-galactosyl-(1->4)-D-glucose moiety with the galactosyl residue having an alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucos aminyl group attached at the 3-position and an alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl group at the 6-position. ChEBI CHEBI:62693
      A branched amino octasaccharide consisting of a beta-D-galactosyl-(1right4)-D-glucose moiety with the galactosyl residue having an alpha-L-fucosyl-(1right3)-[beta-D-galactosyl-(1right3)]-N-acetyl-beta -D-glucosaminyl group attached at the 3-position and an alpha-L-fucosyl-(1right3)-[beta-D-galactosyl; -(1right4)]-N-acetyl-beta-D-glucosaminyl group at the 6-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62693

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1549.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 269.7±6.0 kJ/mol
Flash Point: 890.9±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 293.0±0.4 cm3
#H bond acceptors: 41
#H bond donors: 24
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -6.65
ACD/LogD (pH 5.5): -7.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 642 Å2
Polarizability: 116.2±0.5 10-24cm3
Surface Tension: 114.4±5.0 dyne/cm
Molar Volume: 777.4±5.0 cm3

Click to predict properties on the Chemicalize site


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