ChemSpider 2D Image | (1S)-1-(4-Fluorophenyl)-3-[(2S,3R)-1-[4-fluoro(~2~H_4_)phenyl]-2-(4-hydroxyphenyl)-4-oxo-3-azetidinyl]propyl acetate | C26H19D4F2NO4

(1S)-1-(4-Fluorophenyl)-3-[(2S,3R)-1-[4-fluoro(2H4)phenyl]-2-(4-hydroxyphenyl)-4-oxo-3-azetidinyl]propyl acetate

  • Molecular FormulaC26H19D4F2NO4
  • Average mass455.487 Da
  • Monoisotopic mass455.184631 Da
  • ChemSpider ID48058804

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S)-1-(4-Fluorophenyl)-3-[(2S,3R)-1-[4-fluoro(2H4)phenyl]-2-(4-hydroxyphenyl)-4-oxo-3-azetidinyl]propyl acetate [ACD/IUPAC Name]
(1S)-1-(4-Fluorphenyl)-3-[(2S,3R)-1-[4-fluor(2H4)phenyl]-2-(4-hydroxyphenyl)-4-oxo-3-azetidinyl]propyl-acetat [German] [ACD/IUPAC Name]
2-Azetidinone, 3-[(3S)-3-(acetyloxy)-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl-2,3,5,6-d4)-4-(4-hydroxyphenyl)-, (3R,4S)- [ACD/Index Name]
Acétate de (1S)-1-(4-fluorophényl)-3-[(2S,3R)-1-[4-fluoro(2H4)phényl]-2-(4-hydroxyphényl)-4-oxo-3-azétidinyl]propyle [French] [ACD/IUPAC Name]
[(1S)-1-(4-fluorophenyl)-3-[(2S,3R)-2-(4-hydroxyphenyl)-4-oxo-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)azetidin-3-yl]propyl] acetate
1217642-08-4 [RN]
3-O-Acetyl Ezetimibe-d4

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 643.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 342.9±31.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 117.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.15
    ACD/LogD (pH 5.5): 4.46
    ACD/BCF (pH 5.5): 1435.16
    ACD/KOC (pH 5.5): 6328.47
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 1427.95
    ACD/KOC (pH 7.4): 6296.69
    Polar Surface Area: 67 Å2
    Polarizability: 46.7±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 345.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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