ChemSpider 2D Image | {(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-[(3S)-1-hydroxy-3-pentanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid | C25H29Cl2NO4

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

  • Molecular FormulaC25H29Cl2NO4
  • Average mass478.408 Da
  • Monoisotopic mass477.147369 Da
  • ChemSpider ID76785237

  • 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-[(3S)-1-hydroxy-3-pentanyl]-3-methyl-2-oxo-3-piperidinyl}acetic acid [ACD/IUPAC Name]
{(3R,5R,6S)-5-(3-Chlorphenyl)-6-(4-chlorphenyl)-1-[(3S)-1-hydroxy-3-pentanyl]-3-methyl-2-oxo-3-piperidinyl}essigsäure [German] [ACD/IUPAC Name]
3-Piperidineacetic acid, 5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-ethyl-3-hydroxypropyl]-3-methyl-2-oxo-, (3R,5R,6S)- [ACD/Index Name]
Acide {(3R,5R,6S)-5-(3-chlorophényl)-6-(4-chlorophényl)-1-[(3S)-1-hydroxy-3-pentanyl]-3-méthyl-2-oxo-3-pipéridinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 275.49
ACD/KOC (pH 5.5): 864.81
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 14.16
Polar Surface Area: 78 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

Click to predict properties on the Chemicalize site


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