ChemSpider 2D Image | beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp | C34H58N2O26

β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-[β-D-Galp-(1->4)-β-D-GlcpNAc-(1->6)]-β-D-Galp

  • Molecular FormulaC34H58N2O26
  • Average mass910.822 Da
  • Monoisotopic mass910.327759 Da
  • ChemSpider ID26332934

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

β-D-Galactopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6) ]- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)]-β-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-[β-D-Galp-(1->;4)-β-D-GlcpNAc-(1->6)]-β-D-Galp
I pentasaccharide
missing
WURCS=2.0/2,5,4/[a2112h-1b1-5][a2122h-1b1-52*NCC/3=O]/1-2-1-2-1/a3-b1a6-d1b4-c1d4-e1
  • Miscellaneous

    • Chemical Class:

      <stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>3)-[<stereo> beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Glc<ringsugar>p</ringsugar>NAc-(1<arrow>right</arrow>6)]-<stereo>D</stere o>-Gal<ringsugar>p</ringsugar> in which the configuration of the <stereo>D</stereo>-galactosyl residue at the reducing end is <stereo>beta</stereo>. ChEBI CHEBI:62950
      beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-Galp in which the configuration of the D-galactosyl residue at the reducing end is beta. ChEBI CHEBI:62950
      beta-D-Galp-(1right4)-beta-D-GlcpNAc-(1right3)-[; beta-D-Galp-(1right4)-beta-D-GlcpNAc-(1right6)]-D-Galp in which the configuration of the D-galactosyl residue at the reducing end is beta. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62950

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1322.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 224.0±6.0 kJ/mol
Flash Point: 753.4±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 195.0±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -7.74
ACD/LogD (pH 5.5): -8.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 445 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 110.6±5.0 dyne/cm
Molar Volume: 523.9±5.0 cm3

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