ChemSpider 2D Image | Methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate | C19H21NO8

Methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate

  • Molecular FormulaC19H21NO8
  • Average mass391.372 Da
  • Monoisotopic mass391.126709 Da
  • ChemSpider ID29770871

More details:

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

3-[4-(2-Amino-2-oxoéthoxy)-3-méthoxyphényl]-3-(3-hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-hydroxy-6-methyl-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoat [German] [ACD/IUPAC Name]
1574479-46-1 [RN]
methyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
METHYL 3-[4-(CARBAMOYLMETHOXY)-3-METHOXYPHENYL]-3-(3-HYDROXY-6-METHYL-4-OXO-4H-PYRAN-2-YL)PROPANOATE
METHYL 3-[4-(CARBAMOYLMETHOXY)-3-METHOXYPHENYL]-3-(3-HYDROXY-6-METHYL-4-OXOPYRAN-2-YL)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: 659.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.0±3.0 kJ/mol
    Flash Point: 352.6±31.5 °C
    Index of Refraction: 1.584
    Molar Refractivity: 96.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 2.37
    ACD/KOC (pH 5.5): 64.46
    ACD/LogD (pH 7.4): 0.68
    ACD/BCF (pH 7.4): 1.83
    ACD/KOC (pH 7.4): 49.79
    Polar Surface Area: 134 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 57.9±3.0 dyne/cm
    Molar Volume: 288.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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