ChemSpider 2D Image | {(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxy-2-butanyl]-2-oxo-3-piperidinyl}acetic acid | C23H25Cl2NO4

{(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxy-2-butanyl]-2-oxo-3-piperidinyl}acetic acid

  • Molecular FormulaC23H25Cl2NO4
  • Average mass450.355 Da
  • Monoisotopic mass449.116058 Da
  • ChemSpider ID35033509

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxy-2-butanyl]-2-oxo-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3r,5r,6s)-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-1-[(2s)-1-Hydroxybutan-2-Yl]-2-Oxopiperidin-3-Yl}acetic Acid
{(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-[(2S)-1-hydroxy-2-butanyl]-2-oxo-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(hydroxymethyl)propyl]-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide {(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-[(2S)-1-hydroxy-2-butanyl]-2-oxo-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]
0Y7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 116.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 88.63
ACD/KOC (pH 5.5): 384.05
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 6.29
Polar Surface Area: 78 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 344.6±3.0 cm3

Click to predict properties on the Chemicalize site


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