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

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

  • Molecular FormulaC22H38N2O16
  • Average mass586.541 Da
  • Monoisotopic mass586.222107 Da
  • ChemSpider ID2338601
  • 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->3)-[β-D-mannopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-[β-D-mannopyranosyl-(1->;4)]-2-acetamido-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-[β-D-mannopyranosyl-(1->;4)]-2-acétamido-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-[β-D-mannopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
61652-90-2 [RN]
D-Glucose, O-β-D-mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
Man-1-4-glcnac-1-4-glcnac
Man1GlcNAc2
Manbeta1-4GlcNAcbeta1-4GlcNAc
Mannopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose

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: -3.14
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
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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