ChemSpider 2D Image | beta-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-GlcpNAc | C20H35NO16


  • Molecular FormulaC20H35NO16
  • Average mass545.489 Da
  • Monoisotopic mass545.195557 Da
  • ChemSpider ID28533595
  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

115114-32-4 [RN]
D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
[115114-32-4] [RN]
  • Miscellaneous
    • Chemical Class:

      An amino trisaccharide comprised of two <stereo>beta</stereo>-<stereo>D</stereo>-galactose residues linked (1<arrow>right</arrow>4), with the one at the reducing end being linked (1<arrow>right</arrow >4) to an <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residue. ChEBI CHEBI:71450
      An amino trisaccharide comprised of two beta-D-galactose residues linked (1right4), with the one at the reducing end being linked (1right4) to an N-acetyl-D-glucosamine residue. ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 979.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.8±6.0 kJ/mol
Flash Point: 546.1±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.85
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 317.8±5.0 cm3

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