ChemSpider 2D Image | (4S,5R)-4-(3-Chlorobenzoyl)-5-(3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C23H23ClFNO5

(4S,5R)-4-(3-Chlorobenzoyl)-5-(3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC23H23ClFNO5
  • Average mass447.884 Da
  • Monoisotopic mass447.124878 Da
  • ChemSpider ID60551113

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R)-4-(3-Chlorbenzoyl)-5-(3-fluorphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S,5R)-4-(3-Chlorobenzoyl)-5-(3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S,5R)-4-(3-Chlorobenzoyl)-5-(3-fluorophényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(3-chlorobenzoyl)-5-(3-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (2S,4S,5R)- [ACD/Index 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: 594.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 313.1±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 21.88
ACD/KOC (pH 5.5): 88.05
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.52
Polar Surface Area: 84 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 336.6±3.0 cm3

Click to predict properties on the Chemicalize site


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