ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galactose | C22H38N2O16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galactose

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID2299864
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galactose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-D-galactose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-[β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-D-galactose [French] [ACD/IUPAC Name]
D-Galactose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-[β-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
73499-58-8 [RN]
Galactosyl β(1-3)-N-acetylglucosaminyl-β(1-6)-N-acetylgalactosamine
Galbeta1-3(glcnacbeta1-6)galnac
Gal-glcnac-galnac

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1091.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 181.3±6.0 kJ/mol
Flash Point: 614.0±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: -3.44
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.09
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

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