ChemSpider 2D Image | (1-Fluorocyclopropyl)[(3S,3aS,7aR)-3-(tetrahydro-2H-pyran-4-ylmethoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl]methanone | C17H26FNO4

(1-Fluorocyclopropyl)[(3S,3aS,7aR)-3-(tetrahydro-2H-pyran-4-ylmethoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl]methanone

  • Molecular FormulaC17H26FNO4
  • Average mass327.391 Da
  • Monoisotopic mass327.184601 Da
  • ChemSpider ID60717670

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1-Fluorcyclopropyl)[(3S,3aS,7aR)-3-(tetrahydro-2H-pyran-4-ylmethoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl]methanon [German] [ACD/IUPAC Name]
(1-Fluorocyclopropyl)[(3S,3aS,7aR)-3-(tetrahydro-2H-pyran-4-ylmethoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl]methanone [ACD/IUPAC Name]
(1-Fluorocyclopropyl)[(3S,3aS,7aR)-3-(tétrahydro-2H-pyran-4-ylméthoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, (1-fluorocyclopropyl)[(3S,3aS,7aR)-hexahydro-3-[(tetrahydro-2H-pyran-4-yl)methoxy]pyrano[3,2-b]pyrrol-1(2H)-yl]- [ACD/Index Name]
(1-fluorocyclopropyl)((3S,3aS,7aR)-3-((tetrahydro-2H-pyran-4-yl)methoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl)methanone
(1-fluorocyclopropyl)((3S,3aS,7aR)-3-((tetrahydro-2H-pyran-4-yl)methyltetrahydro-2H-pyran-4-yl)methoxy)hexahydropyrano[3,2-b]pyrrol-1(2H)-yl)methanone

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 473.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 240.4±28.7 °C
    Index of Refraction: 1.534
    Molar Refractivity: 81.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.27
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 2.88
    ACD/KOC (pH 5.5): 74.31
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 2.88
    ACD/KOC (pH 7.4): 74.31
    Polar Surface Area: 48 Å2
    Polarizability: 32.5±0.5 10-24cm3
    Surface Tension: 45.3±5.0 dyne/cm
    Molar Volume: 263.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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