ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate | C21H20O9

Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate

  • Molecular FormulaC21H20O9
  • Average mass416.378 Da
  • Monoisotopic mass416.110718 Da
  • ChemSpider ID29770974

More details:

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

3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(6-méthoxy-4-oxo-4H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-3-propanoic acid, β-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-6-methoxy-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1574477-14-7 [RN]
MCULE-7782388656
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(6-methoxy-4-oxo-4H-chromen-3-yl)propanoate
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
MolPort-028-854-811

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 623.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±3.0 kJ/mol
    Flash Point: 219.3±25.0 °C
    Index of Refraction: 1.593
    Molar Refractivity: 101.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 7.65
    ACD/KOC (pH 5.5): 148.90
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 4.46
    ACD/KOC (pH 7.4): 86.84
    Polar Surface Area: 118 Å2
    Polarizability: 40.2±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 299.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement