ChemSpider 2D Image | Methyl 4-{1-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl}benzoate | C22H25NO8

Methyl 4-{1-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl}benzoate

  • Molecular FormulaC22H25NO8
  • Average mass431.436 Da
  • Monoisotopic mass431.158020 Da
  • ChemSpider ID30717650

More details:

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

4-{1-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl 4-{1-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl}benzoate [ACD/IUPAC Name]
Methyl-4-{1-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(4-morpholinyl)-3-oxopropyl}benzoat [German] [ACD/IUPAC Name]
1574376-84-3 [RN]
methyl 4-(1-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-morpholino-3-oxopropyl)benzoate
methyl 4-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]benzoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 670.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±3.0 kJ/mol
    Flash Point: 359.5±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 108.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.80
    ACD/KOC (pH 5.5): 137.09
    ACD/LogD (pH 7.4): 1.26
    ACD/BCF (pH 7.4): 4.98
    ACD/KOC (pH 7.4): 100.35
    Polar Surface Area: 112 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 323.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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