ChemSpider 2D Image | beta-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-(2xi)-2-acetamido-2-deoxy-D-lyxo-hexose | C22H38N2O16

β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-(2ξ)-2-acetamido-2-deoxy-D-lyxo-hexose

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID111308
  • defined stereocentres - 13 of 14 defined stereocentres


More details:






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

D-lyxo-Hexose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-, (2ξ)- [ACD/Index Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;3)-(2ξ)-2-acetamido-2-deoxy-D-lyxo-hexose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-(2ξ)-2-acetamido-2-desoxy-D-lyxo-hexose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-(2ξ)-2-acétamido-2-désoxy-D-lyxo-hexose [French] [ACD/IUPAC Name]
93467-77-7 [RN]
D-Galactose, O-β-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-, (3aS-(3aα,4β,6aα))-
Gal(1-4)glcnac(1-3)galnac
Galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1089.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.9±6.0 kJ/mol
Flash Point: 612.7±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.34
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 92.1±5.0 dyne/cm
Molar Volume: 366.1±5.0 cm3

Click to predict properties on the Chemicalize site






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