ChemSpider 2D Image | {(2R,5R,6R)-6-(3-Chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-(cyclopentylsulfonyl)-2-butanyl]-3-oxo-2-morpholinyl}acetic acid | C27H31Cl2NO6S

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

  • Molecular FormulaC27H31Cl2NO6S
  • Average mass568.509 Da
  • Monoisotopic mass567.124939 Da
  • ChemSpider ID34235889

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(2R,5R,6R)-6-(3-Chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-(cyclopentylsulfonyl)-2-butanyl]-3-oxo-2-morpholinyl}acetic acid [ACD/IUPAC Name]
{(2R,5R,6R)-6-(3-Chlorphenyl)-5-(4-chlorphenyl)-4-[(2S)-1-(cyclopentylsulfonyl)-2-butanyl]-3-oxo-2-morpholinyl}essigsäure [German] [ACD/IUPAC Name]
2-Morpholineacetic acid, 6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-[(cyclopentylsulfonyl)methyl]propyl]-3-oxo-, (2R,5R,6R)- [ACD/Index Name]
Acide {(2R,5R,6R)-6-(3-chlorophényl)-5-(4-chlorophényl)-4-[(2S)-1-(cyclopentylsulfonyl)-2-butanyl]-3-oxo-2-morpholinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 783.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.7±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 65.32
ACD/KOC (pH 5.5): 248.92
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 109 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 403.8±5.0 cm3

Click to predict properties on the Chemicalize site


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