ChemSpider 2D Image | (4S)-4-[(2,4-Dichloro-1-naphthyl)oxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C20H21Cl2NO5

(4S)-4-[(2,4-Dichloro-1-naphthyl)oxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC20H21Cl2NO5
  • Average mass426.290 Da
  • Monoisotopic mass425.079681 Da
  • ChemSpider ID25074874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[(2,4-Dichlor-1-naphthyl)oxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-[(2,4-Dichloro-1-naphthyl)oxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S)-4-[(2,4-Dichloro-1-naphtyl)oxy]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[(2,4-dichloro-1-naphthalenyl)oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-1-(tert-butoxycarbonyl)-4-((2,4-dichloronaphthalen-1-yl)oxy)pyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-Butoxycarbonyl)-4-[(2,4-dichloro-1 -naphthyl)oxy]-2-pyrrolidinecarboxylic acid
(2s,4s)-1-(tert-butoxycarbonyl)-4-[(2,4-dichloro-1-naphthyl)oxy]-2-pyrrolidinecarboxylic acid
(2s,4s)-1-(tert-butoxycarbonyl)-4-[(2,4-dichloro-1-naphthyl)oxy]-2-pyrrolidinecarboxylicacid
(2S,4S)-4-(2,4-dichloronaphthalen-1-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1354485-40-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 582.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±3.0 kJ/mol
    Flash Point: 306.1±30.1 °C
    Index of Refraction: 1.614
    Molar Refractivity: 106.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.33
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 29.11
    ACD/KOC (pH 5.5): 112.49
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.98
    Polar Surface Area: 76 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 56.4±3.0 dyne/cm
    Molar Volume: 306.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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