ChemSpider 2D Image | 5-Oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-D-proline | C13H11NO5

5-Oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-D-proline

  • Molecular FormulaC13H11NO5
  • Average mass261.230 Da
  • Monoisotopic mass261.063721 Da
  • ChemSpider ID21786163

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

5-Oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-D-prolin [German] [ACD/IUPAC Name]
5-Oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-D-proline [ACD/IUPAC Name]
5-Oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-5-oxo- [ACD/Index Name]
(2R)-5-Oxo-1-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrrolidine-2-carboxylic acid
(2R)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxylic acid
1217542-54-5 [RN]
AKOS004938942
ALBB-015925
MFCD11556229 [MDL number]
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 582.3±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: 306.0±30.1 °C
    Index of Refraction: 1.656
    Molar Refractivity: 61.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.38
    ACD/LogD (pH 5.5): -2.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 24.5±0.5 10-24cm3
    Surface Tension: 77.0±3.0 dyne/cm
    Molar Volume: 168.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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