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Search term: ZTMSSDQFJNEUNG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid | C27H31Cl2NO6S

[(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid

  • Molecular FormulaC27H31Cl2NO6S
  • Average mass568.509 Da
  • Monoisotopic mass567.124939 Da
  • ChemSpider ID34235897

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid
[(2R,5R,6R)-6-(3-Chlorophenyl)-5-(4-chlorophenyl)-4-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-oxo-2-morpholinyl]acetic acid [ACD/IUPAC Name]
[(2R,5R,6R)-6-(3-Chlorphenyl)-5-(4-chlorphenyl)-4-{(1S)-1-cyclopropyl-2-[(2-methyl-2-propanyl)sulfonyl]ethyl}-3-oxo-2-morpholinyl]essigsäure [German] [ACD/IUPAC Name]
2-Morpholineacetic acid, 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[(1,1-dimethylethyl)sulfonyl]ethyl]-3-oxo-, (2R,5R,6R)- [ACD/Index Name]
Acide [(2R,5R,6R)-6-(3-chlorophényl)-5-(4-chlorophényl)-4-{(1S)-1-cyclopropyl-2-[(2-méthyl-2-propanyl)sulfonyl]éthyl}-3-oxo-2-morpholinyl]acétique [French] [ACD/IUPAC Name]
1429386-01-5 [RN]
2-[(2R,5R,6R)-4-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
2TW
AM-8735

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 768.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.4±3.0 kJ/mol
    Flash Point: 418.6±32.9 °C
    Index of Refraction: 1.598
    Molar Refractivity: 142.6±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.43
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 76.42
    ACD/KOC (pH 5.5): 278.51
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 1.48
    ACD/KOC (pH 7.4): 5.40
    Polar Surface Area: 109 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 418.0±3.0 cm3

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