ChemSpider 2D Image | (4S)-4-(2-Acetylphenoxy)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C18H23NO6

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

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID25074964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-(2-Acetylphenoxy)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-(2-Acetylphenoxy)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S)-4-(2-Acétylphénoxy)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(2-acetylphenoxy)-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-4-(2-acetylphenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid
(2S,4S)-4-(2-Acetylphenoxy)-1-(tert-butoxy-carbonyl)-2-pyrrolidinecarboxylic acid
(2s,4s)-4-(2-acetylphenoxy)-1-(tert-butoxy-carbonyl)-2-pyrrolidinecarboxylicacid
(2S,4S)-4-(2-acetylphenoxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
(2S,4S)-4-(2-acetylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1266111-72-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 510.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 262.3±30.1 °C
    Index of Refraction: 1.550
    Molar Refractivity: 89.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.15
    ACD/LogD (pH 7.4): -1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 280.2±3.0 cm3

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