ChemSpider 2D Image | 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-[2-acetamido-2-deoxy-D-glucopyranosyl-(1->3)]-(3xi)-D-xylo-hexose | C22H38N2O16

2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->6)-[2-acetamido-2-deoxy-D-glucopyranosyl-(1->3)]-(3ξ)-D-xylo-hexose

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID110729

  • defined stereocentres - 12 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->6)-[2-acetamido-2-deoxy-D-glucopyranosyl-(1->3)]-(3ξ)-D-xylo-hexose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->6)-[2-acetamido-2-desoxy-D-glucopyranosyl-(1->;3)]-(3ξ)-D-xylo-hexose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->6)-[2-acétamido-2-désoxy-D-glucopyranosyl-(1->;3)]-(3ξ)-D-xylo-hexose [French] [ACD/IUPAC Name]
D-xylo-Hexose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->6)-O-[2-(acetylamino)-2-deoxy-D-glucopyranosyl-(1->3)]-, (3ξ)- [ACD/Index Name]
55612-66-3 [RN]
D-Galactose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-3)-O-(2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-6))-
Glcnac(β1-3)glcnac(β1-6)gal
Glcnac-glcnac-gal
N-Acetylglucosaminyl(1-3)-N-acetylglucosaminyl(1-6)-galactopyranose

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

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: -1.65
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
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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