ChemSpider 2D Image | beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc | C34H58N2O25

β-D-Galp-(1->3)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-[α-L-Fucp-(1->3)]-β-D-GlcpNAc

  • Molecular FormulaC34H58N2O25
  • Average mass894.823 Da
  • Monoisotopic mass894.332886 Da
  • ChemSpider ID34999685

  • defined stereocentres - 25 of 25 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->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->3)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-[α-L-Fucp-(1->;3)]-β-D-GlcpNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-β-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-(acetylamin o)-2-deoxy- [ACD/Index Name]
6-deoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose; α
6-deoxy-α-L-galactopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose; α-L-fucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->;3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose
Galb1-3GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcb
Galbeta1-3GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta
-L-fucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose
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  • Miscellaneous

    • Chemical Class:

      A branched amino pentasaccharide comprising a linear chain of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, <ste reo>beta</stereo>-<stereo>D</stereo>-galactose and <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, linked (1<arrow>right</arrow>3), (1<arrow>right</arrow>3) and (1<ar row>right</arrow>4) respectively, with an <stereo>alpha</stereo>-<stereo>L</stereo>-fucose residue linked to the reducing-end <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-gluco samine residue. ChEBI CHEBI:85402
      A branched amino pentasaccharide comprising a linear chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine, linked (1->3), (1->3) and (1->4) respecti vely, with an alpha-L-fucose residue linked to the reducing-end N-acetyl-beta-D-glucosamine residue. ChEBI CHEBI:85402
      A branched amino pentasaccharide comprising a linear chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine, linked (1right3), (1right3) and (1right4) respectively, with an alpha-L-fucose residue linked to the reducing-end N-acetyl-beta-D-glucosamine residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85402

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1271.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 214.3±6.0 kJ/mol
Flash Point: 723.0±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 193.4±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.72
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 424 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 526.8±5.0 cm3

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