ChemSpider 2D Image | Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]propanoate | C23H29NO8

Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]propanoate

  • Molecular FormulaC23H29NO8
  • Average mass447.478 Da
  • Monoisotopic mass447.189331 Da
  • ChemSpider ID32510994

More details:

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

3-(4-Hydroxy-3,5-diméthoxyphényl)-3-[3-hydroxy-4-oxo-6-(1-pipéridinylméthyl)-4H-pyran-2-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-6-(1-piperidinylmethyl)-, methyl ester [ACD/Index Name]
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1630865-42-7 [RN]
methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 635.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.7±3.0 kJ/mol
    Flash Point: 338.0±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 115.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.29
    ACD/LogD (pH 5.5): -1.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.07
    Polar Surface Area: 115 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 56.3±3.0 dyne/cm
    Molar Volume: 341.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement