ChemSpider 2D Image | (3R,4R,5S)-3-(3-Chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide | C27H33Cl2N3O3

(3R,4R,5S)-3-(3-Chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide

  • Molecular FormulaC27H33Cl2N3O3
  • Average mass518.475 Da
  • Monoisotopic mass517.189880 Da
  • ChemSpider ID30828211

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4R,5S)-3-(3-Chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide [ACD/IUPAC Name]
(3R,4R,5S)-3-(3-Chlorophényl)-4-(4-chlorophényl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-diméthylpropyl)-D-prolinamide [French] [ACD/IUPAC Name]
(3R,4R,5S)-3-(3-Chlorphenyl)-4-(4-chlorphenyl)-4-cyan-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamid [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-, (2R,3R,4R,5S)- [ACD/Index Name]
I09

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 404.1±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 517.24
ACD/KOC (pH 5.5): 2260.57
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1447.03
ACD/KOC (pH 7.4): 6324.16
Polar Surface Area: 105 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

Click to predict properties on the Chemicalize site


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