ChemSpider 2D Image | Methyl 3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate | C24H31NO8

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

  • Molecular FormulaC24H31NO8
  • Average mass461.505 Da
  • Monoisotopic mass461.204956 Da
  • ChemSpider ID32512307

More details:

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

3-[3-Hydroxy-4-oxo-6-(1-pipéridinylméthyl)-4H-pyran-2-yl]-3-(2,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-β-(2,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-4-oxo-6-(1-piperidinylmethyl)-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1630841-09-6 [RN]
methyl 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)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: 641.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.5±3.0 kJ/mol
    Flash Point: 341.8±31.5 °C
    Index of Refraction: 1.567
    Molar Refractivity: 119.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.32
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.93
    Polar Surface Area: 104 Å2
    Polarizability: 47.5±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 366.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement