ChemSpider 2D Image | (4S,5S)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid | C22H25NO6

(4S,5S)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid

  • Molecular FormulaC22H25NO6
  • Average mass399.437 Da
  • Monoisotopic mass399.168182 Da
  • ChemSpider ID71061412

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S,5S)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidin-5-carbonsäure [German] [ACD/IUPAC Name]
(4S,5S)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid [ACD/IUPAC Name]
3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 3-(1,1-dimethylethyl) ester, (4S,5S)- [ACD/Index Name]
Acide (4S,5S)-2-(4-méthoxyphényl)-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-phényl-1,3-oxazolidine-5-carboxylique [French] [ACD/IUPAC Name]
(4S,5S)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
(4S,5S)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
(4S,5S)-3-[(tert-butoxy)carbonyl]-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
949459-78-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 573.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.5±3.0 kJ/mol
    Flash Point: 300.8±30.1 °C
    Index of Refraction: 1.568
    Molar Refractivity: 105.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.20
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 1.65
    ACD/KOC (pH 5.5): 9.83
    ACD/LogD (pH 7.4): 0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 322.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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