ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D- glucopyranose | C40H68N2O31

β-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-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D- glucopyranose

  • Molecular FormulaC40H68N2O31
  • Average mass1072.963 Da
  • Monoisotopic mass1072.380615 Da
  • ChemSpider ID26332415

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

β-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-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D- glucopyranose [ACD/IUPAC Name]
β-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-glucopyranosyl-(1->6)]-2-acetamido-2-desoxy-β- D-glucopyranose [German] [ACD/IUPAC Name]
β-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-glucopyranosyl-(1->6)]-2-acétamido-2-désoxy-β- D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-[O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-β-D-glucopyranosyl -(1->6)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
Glucopyranose
missing
WURCS=2.0/3,6,5/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a2122h-1b1-5]/1-2-3-2-1-2/a4-b1a6-c1c4-d1d3-e1e4-f1
β-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-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D-
β-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-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-β-D-glucopyranose
β-D-Galp-(1->4)-[β-D-Galp-(1->4)-β-D-GlcpNAc-(1->;3)-β-D-Galp-(1->;4)-β-D-Glcp-(1->;6)]-β-D-GlcpNAc
  • Miscellaneous

    • Chemical Class:

      A branched amino hexasaccharide comprising <element>N</element>-acetylglucosamine at the reducing end with a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl group at the 4-position and a <stereo>b eta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<st ereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-glucosyl moiety at the 6-position. ChEBI CHEBI:61858
      A branched amino hexasaccharide comprising N-acetylglucosamine at the reducing end with a beta-D-galactosyl group at the 4-position and a b; eta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1r ight3)-beta-D-galactosyl-(1right4)-beta-D-glucosyl moiety at the 6-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61858
      A branched amino hexasaccharide comprising N-acetylglucosamine at the reducing end with a beta-D-galactosyl group at the 4-position and a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-b eta-D-galactosyl-(1->4)-beta-D-glucosyl moiety at the 6-position. ChEBI CHEBI:61858

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1460.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 251.3±6.0 kJ/mol
Flash Point: 836.9±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 228.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -9.92
ACD/LogD (pH 5.5): -10.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 524 Å2
Polarizability: 90.7±0.5 10-24cm3
Surface Tension: 116.1±5.0 dyne/cm
Molar Volume: 606.7±5.0 cm3

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