ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(3-oxohexanoyl)amino]-beta-D-glucopyranose | C20H29NO11

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(3-oxohexanoyl)amino]-β-D-glucopyranose

  • Molecular FormulaC20H29NO11
  • Average mass459.444 Da
  • Monoisotopic mass459.174072 Da
  • ChemSpider ID76819158

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(3-oxohexanoyl)amino]-β-D-glucopyranose [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-desoxy-2-[(3-oxohexanoyl)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,3,4,6-Tétra-O-acétyl-2-désoxy-2-[(3-oxohexanoyl)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-deoxy-2-[(1,3-dioxohexyl)amino]-, 1,3,4,6-tetraacetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±30.1 °C
Index of Refraction: 1.497
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 64.62
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.59
Polar Surface Area: 161 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 360.9±5.0 cm3

Click to predict properties on the Chemicalize site


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