ChemSpider 2D Image | Proline,1-benzoyl-4-phenyl- | C18H17NO3

Proline,1-benzoyl-4-phenyl-

  • Molecular FormulaC18H17NO3
  • Average mass295.332 Da
  • Monoisotopic mass295.120850 Da
  • ChemSpider ID24609238

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-Benzoyl-4-phenyl-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-Benzoyl-4-phenyl-L-proline [ACD/IUPAC Name]
(4S)-1-Benzoyl-4-phényl-L-proline [French] [ACD/IUPAC Name]
120851-71-0 [RN]
94005-34-2 [RN]
L-Proline, 1-benzoyl-4-phenyl-, (4S)- [ACD/Index Name]
Proline,1-benzoyl-4-phenyl-
trans-1-benzoyl-4-phenyl-L-proline
(2S,4S)-1-benzoyl-4-phenylpyrrolidine-2-carboxylic acid
(2S,4S)-1-Benzoyl-4-phenyl-pyrrolidine-2-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 518.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 267.2±30.1 °C
    Index of Refraction: 1.623
    Molar Refractivity: 82.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): 1.94
    ACD/BCF (pH 5.5): 12.23
    ACD/KOC (pH 5.5): 136.85
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.32
    Polar Surface Area: 58 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 56.0±3.0 dyne/cm
    Molar Volume: 233.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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