ChemSpider 2D Image | 3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-methyl-4H-pyran-4-one | C22H25NO8

3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-methyl-4H-pyran-4-one

  • Molecular FormulaC22H25NO8
  • Average mass431.436 Da
  • Monoisotopic mass431.158020 Da
  • ChemSpider ID29771952

More details:

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

3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-methyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-2-[1-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-methyl-4H-pyran-4-one [ACD/IUPAC Name]
3-Hydroxy-2-[1-(8-méthoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-6-méthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2-[1-(2,3-dihydro-8-methoxy-1,4-benzodioxin-6-yl)-3-(4-morpholinyl)-3-oxopropyl]-3-hydroxy-6-methyl- [ACD/Index Name]
1574477-56-7 [RN]
3-hydroxy-2-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-morpholin-4-yl-3-oxopropyl]-6-methylpyran-4-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 683.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 366.9±31.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 107.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.66
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.42
    ACD/KOC (pH 5.5): 100.81
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 3.53
    ACD/KOC (pH 7.4): 80.51
    Polar Surface Area: 104 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 57.9±3.0 dyne/cm
    Molar Volume: 314.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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