ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->3)-[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galactopyranose | C34H58N2O26

β-D-Galactopyranosyl-(1->3)-[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galactopyranose

  • Molecular FormulaC34H58N2O26
  • Average mass910.822 Da
  • Monoisotopic mass910.327759 Da
  • ChemSpider ID88294346
  • defined stereocentres - 24 of 25 defined stereocentres


More details:






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

D-Galactopyranose, O-β-D-galactopyranosyl-(1->3)-O-[O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->3)-[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)]-2-acetamido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->3)-[α-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)]-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
missing
α-D-galacto-hexopyranosyl-(1->3)-β-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1->6)-[β-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Miscellaneous
    • Chemical Class:

      An amino pentasaccharide that is beta-D-Galp-(1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-D-GalpNAc in which the beta-D-galactosyl group attached by a (1->4) linkage to an acetamidoglucopyranosyl group has glycosylated at its 3-hydroxy group by an alpha-D-galactopyransyl group. ChEBI CHEBI:147149

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1336.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 226.7±6.0 kJ/mol
Flash Point: 762.0±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: -7.55
ACD/LogD (pH 5.5): -7.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.82
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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