ChemSpider 2D Image | {(2S,5R,6S)-6-(3-Chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxy-2-butanyl]-3-oxo-2-morpholinyl}acetic acid | C22H23Cl2NO5

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

  • Molecular FormulaC22H23Cl2NO5
  • Average mass452.328 Da
  • Monoisotopic mass451.095337 Da
  • ChemSpider ID29407730

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.2±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: 353.1±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 14.62
ACD/KOC (pH 5.5): 85.27
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 87 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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