ChemSpider 2D Image | [(3r,5r,6s)-1-[(2s)-1-(Tert-Butylsulfonyl)butan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetic Acid | C28H35Cl2NO5S

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

  • Molecular FormulaC28H35Cl2NO5S
  • Average mass568.552 Da
  • Monoisotopic mass567.161316 Da
  • ChemSpider ID31131340

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3r,5r,6s)-1-[(2s)-1-(Tert-Butylsulfonyl)butan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-3-Methyl-2-Oxopiperidin-3-Yl]acetic Acid
[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-{(2S)-1-[(2-methyl-2-propanyl)sulfonyl]-2-butanyl}-2-oxo-3-piperidinyl]acetic acid [ACD/IUPAC Name]
[(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-3-methyl-1-{(2S)-1-[(2-methyl-2-propanyl)sulfonyl]-2-butanyl}-2-oxo-3-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-[[(1,1-dimethylethyl)sulfonyl]methyl]propyl]-3-methyl-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide [(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-3-méthyl-1-{(2S)-1-[(2-méthyl-2-propanyl)sulfonyl]-2-butanyl}-2-oxo-3-pipéridinyl]acétique [French] [ACD/IUPAC Name]
2SW

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 520.05
ACD/KOC (pH 5.5): 1362.81
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 8.52
ACD/KOC (pH 7.4): 22.32
Polar Surface Area: 100 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

Click to predict properties on the Chemicalize site


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