ChemSpider 2D Image | alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-DGlcp | C32H55NO26

α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-β-DGlcp

  • Molecular FormulaC32H55NO26
  • Average mass869.770 Da
  • Monoisotopic mass869.301208 Da
  • ChemSpider ID28639031

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Galp-(1->4)-β-D-Galp-(1->4)-β-D-GlcpNAc-(1->3)-β-D-Galp-(1->4)-β-DGlcp
β-D-Glucopyranose, O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
Gala1-4Galb1-4GlcNAcb1-3Galb1-4Glcb
Galalpha1-4Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta
missing
WURCS=2.0/4,5,4/[a2122h-1b1-5][a2112h-1b1-5][a2122h-1b1-52*NCC/3=O][a2112h-1a1-5]/1-2-3-2-4/a4-b1b3-c1c4-d1d4-e1
α-D-Gal-(1->4)-β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->4)-β-DGlc
More...
  • Miscellaneous

    • Chemical Class:

      An amino pentasaccharide consisting of <stereo>alpha</stereo>-<stereo>D</stereo>-galactose, <stereo>beta</stereo>-<stereo>D</stereo>-galactose <element>N</element>-acetyl-<stereo>alpha</stereo>-<stere o>D</stereo>-glucosamine, <stereo>beta</stereo>-<stereo>D</stereo>-galactose, and <stereo>beta</stereo>-<stereo>D</stereo>-glucose residues joined in sequence with ((1<arrow>right</arrow>4)-, (1<arrow >right</arrow>4)-, (1<arrow>right</arrow>3)- and (1<arrow>right</arrow>4)-linkages, respectively. ChEBI CHEBI:68484
      An amino pentasaccharide consisting of alpha-D-galactose, beta-D-galactose N-acetyl-alpha-D-glucosamine, beta-D-galactose, and beta-D-glucose residues joined in sequence with ((1->4)-, (1->4)-, (1->3) - and (1->4)-linkages, respectively. ChEBI CHEBI:68484
      An amino pentasaccharide consisting of alpha-D-galactose, beta-D-galactose N-acetyl-alpha-D-glucosamine, beta-D-galactose, and beta-D-glucose residues joined in sequence with ((1right4)-, (1right4)-, (1right3)- and (1right4)-linkages, respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68484

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1259.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 212.0±6.0 kJ/mol
Flash Point: 715.5±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 183.5±0.4 cm3
#H bond acceptors: 27
#H bond donors: 17
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.99
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 436 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 119.1±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

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