ChemSpider 2D Image | beta-D-Galp-(1->4)-[beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp | C26H45NO21

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

  • Molecular FormulaC26H45NO21
  • Average mass707.630 Da
  • Monoisotopic mass707.248413 Da
  • ChemSpider ID26332403

  • defined stereocentres - 20 of 20 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-[β-D-glucopyranosyl-(1->6)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;6)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->;6)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->4)-[β-D-Glcp-(1->6)]-β-D-GlcpNAc-(1->3)-β-D-Galp
missing
WURCS=2.0/3,4,3/[a2112h-1b1-5][a2122h-1b1-52*NCC/3=O][a2122h-1b1-5]/1-2-1-3/a3-b1b4-c1b6-d1
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide comprising <stereo>beta</stereo>-<stereo>D</stereo>-galactose at the reducing end with a <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-[ <stereo>beta</stereo>-<stereo>D</stereo>-glucosyl-(1<arrow>right</arrow>6)]-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl moiety attached at the 3-position. ChEBI CHEBI:61838
      A branched amino tetrasaccharide comprising beta-D-galactose at the reducing end with a beta-D-galactosyl-(1->4)-[beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position . ChEBI CHEBI:61838
      A branched amino tetrasaccharide comprising beta-D-galactose at the reducing end with a beta-D-galactosyl-(1right4)-[; beta-D-glucosyl-(1right6)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3- position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61838

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1119.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.2±6.0 kJ/mol
Flash Point: 630.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -9.05
ACD/LogD (pH 5.5): -8.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 113.0±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

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