ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-{[(3-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate | C23H22O6S

Methyl 3-(3-hydroxy-6-{[(3-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate

  • Molecular FormulaC23H22O6S
  • Average mass426.482 Da
  • Monoisotopic mass426.113708 Da
  • ChemSpider ID29771217

More details:

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

3-(3-Hydroxy-6-{[(3-méthylphényl)sulfanyl]méthyl}-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-(4-hydroxyphenyl)-6-[[(3-methylphenyl)thio]methyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-{[(3-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-{[(3-methylphenyl)sulfanyl]methyl}-4-oxo-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574474-66-0 [RN]
methyl 3-(3-hydroxy-4-oxo-6-((m-tolylthio)methyl)-4H-pyran-2-yl)-3-(4-hydroxyphenyl)propanoate
METHYL 3-(3-HYDROXY-6-{[(3-METHYLPHENYL)SULFANYL]METHYL}-4-OXOPYRAN-2-YL)-3-(4-HYDROXYPHENYL)PROPANOATE
methyl 3-[3-hydroxy-6-[(3-methylphenyl)sulfanylmethyl]-4-oxopyran-2-yl]-3-(4-hydroxyphenyl)propanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 639.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.2±3.0 kJ/mol
    Flash Point: 340.6±31.5 °C
    Index of Refraction: 1.655
    Molar Refractivity: 114.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.46
    ACD/LogD (pH 5.5): 3.70
    ACD/BCF (pH 5.5): 379.41
    ACD/KOC (pH 5.5): 2437.58
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 254.41
    ACD/KOC (pH 7.4): 1634.47
    Polar Surface Area: 118 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 65.2±5.0 dyne/cm
    Molar Volume: 311.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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