ChemSpider 2D Image | [(3r,5r,6s)-1-[(2s)-1-Tert-Butoxy-1-Oxobutan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-2-Oxopiperidin-3-Yl]acetic Acid | C27H31Cl2NO5

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

  • Molecular FormulaC27H31Cl2NO5
  • Average mass520.445 Da
  • Monoisotopic mass519.157898 Da
  • ChemSpider ID28664326

  • 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-Butoxy-1-Oxobutan-2-Yl]-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-2-Oxopiperidin-3-Yl]acetic Acid
[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-{(2S)-1-[(2-methyl-2-propanyl)oxy]-1-oxo-2-butanyl}-2-oxo-3-piperidinyl]acetic acid [ACD/IUPAC Name]
[(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-{(2S)-1-[(2-methyl-2-propanyl)oxy]-1-oxo-2-butanyl}-2-oxo-3-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
1,3-Piperidinediacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-α1-ethyl-2-oxo-, 1-(1,1-dimethylethyl) ester, (α1S,3R,5R,6S)- [ACD/Index Name]
Acide [(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-{(2S)-1-[(2-méthyl-2-propanyl)oxy]-1-oxo-2-butanyl}-2-oxo-3-pipéridinyl]acétique [French] [ACD/IUPAC Name]
0R2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3317.24
ACD/KOC (pH 5.5): 5134.00
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 54.32
ACD/KOC (pH 7.4): 84.07
Polar Surface Area: 84 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 416.7±3.0 cm3

Click to predict properties on the Chemicalize site


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