ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-[(trifluoroacetyl)amino]-alpha-D-glucopyranose | C16H20F3NO10

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

  • Molecular FormulaC16H20F3NO10
  • Average mass443.326 Da
  • Monoisotopic mass443.103943 Da
  • ChemSpider ID32696804

  • 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-[(trifluoroacetyl)amino]-α-D-glucopyranose [ACD/IUPAC Name]
1,3,4,6-Tétra-O-acétyl-2-désoxy-2-[(2,2,2-trifluoroacétyl)amino]-α-D-glucopyranose [French] [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-desoxy-2-[(trifluoracetyl)amino]-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-2-[(2,2,2-trifluoroacetyl)amino]-, 1,3,4,6-tetraacetate [ACD/Index Name]
183506-73-2 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 495.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 253.3±28.7 °C
    Index of Refraction: 1.467
    Molar Refractivity: 87.3±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.21
    ACD/KOC (pH 5.5): 80.18
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.89
    ACD/KOC (pH 7.4): 72.08
    Polar Surface Area: 144 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 44.1±5.0 dyne/cm
    Molar Volume: 314.7±5.0 cm3

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