ChemSpider 2D Image | 2-Acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose | C16H28N2O11

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-D-glucopyranose

  • Molecular FormulaC16H28N2O11
  • Average mass424.400 Da
  • Monoisotopic mass424.169312 Da
  • ChemSpider ID21403149

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-Acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-β-D-glucopyranosyl)-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-glucopyranosyl)-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy- [ACD/Index Name]
35061-50-8 [RN]
chitobiose [Wiki]
diacetylchitobiose

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

Density: 1.6±0.1 g/cm3
Boiling Point: 902.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 499.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 93.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement