ChemSpider 2D Image | 3-Hydroxy-6-(hydroxymethyl)-2-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]methyl}-4H-pyran-4-one | C21H28N2O7

3-Hydroxy-6-(hydroxymethyl)-2-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]methyl}-4H-pyran-4-one

  • Molecular FormulaC21H28N2O7
  • Average mass420.456 Da
  • Monoisotopic mass420.189636 Da
  • ChemSpider ID29769392

More details:

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

3-Hydroxy-6-(hydroxymethyl)-2-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]methyl}-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-Hydroxy-6-(hydroxymethyl)-2-{[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]methyl}-4H-pyran-4-one [ACD/IUPAC Name]
3-Hydroxy-6-(hydroxyméthyl)-2-{[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]méthyl}-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]- [ACD/Index Name]
1401595-43-4 [RN]
3-hydroxy-6-(hydroxymethyl)-2-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one
MCULE-8093195062
MolPort-027-564-222

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 601.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.2±3.0 kJ/mol
    Flash Point: 317.8±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 109.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.03
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.57
    Polar Surface Area: 101 Å2
    Polarizability: 43.3±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 322.6±3.0 cm3

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