ChemSpider 2D Image | (4S)-4-Hydroxy-1-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-L-proline | C12H15NO7

(4S)-4-Hydroxy-1-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-L-proline

  • Molecular FormulaC12H15NO7
  • Average mass285.250 Da
  • Monoisotopic mass285.084839 Da
  • ChemSpider ID29768429

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Hydroxy-1-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Hydroxy-1-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}-L-proline [ACD/IUPAC Name]
(4S)-4-Hydroxy-1-{[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]méthyl}-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-hydroxy-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl]-, (4S)- [ACD/Index Name]
(2S,4S)-4-hydroxy-1-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]pyrrolidine-2-carboxylic acid
1491139-73-1 [RN]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 638.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±6.0 kJ/mol
    Flash Point: 340.0±31.5 °C
    Index of Refraction: 1.666
    Molar Refractivity: 64.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.76
    ACD/LogD (pH 5.5): -3.58
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 128 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 93.1±3.0 dyne/cm
    Molar Volume: 172.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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