ChemSpider 2D Image | (4S)-4-[2-(Methoxycarbonyl)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C18H23NO7

(4S)-4-[2-(Methoxycarbonyl)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC18H23NO7
  • Average mass365.378 Da
  • Monoisotopic mass365.147461 Da
  • ChemSpider ID25074954

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[2-(Methoxycarbonyl)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-[2-(Methoxycarbonyl)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S)-4-[2-(Méthoxycarbonyl)phénoxy]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[2-(methoxycarbonyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-1-(tert-butoxycarbonyl)-4-(2-(methoxycarbonyl)phenoxy)pyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-butoxycarbonyl)-4-[2-(methoxycarbonyl)phenoxy]-2-pyrrolidinecarboxylic acid
(2S,4S)-1-(tert-Butoxycarbonyl)-4-[2-(methoxy-carbonyl)phenoxy]-2-pyrrolidinecarboxylic acid
(2s,4s)-1-(tert-butoxycarbonyl)-4-[2-(methoxy-carbonyl)phenoxy]-2-pyrrolidinecarboxylicacid
(2S,4S)-4-(2-methoxycarbonylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1354486-19-3 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 517.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 266.6±30.1 °C
    Index of Refraction: 1.548
    Molar Refractivity: 91.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.42
    ACD/LogD (pH 7.4): -0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 286.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement