ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3S,5S)-5-(diethoxyphosphoryl)-2-(4-fluorophenyl)-3-pyrrolidinecarboxylate | C19H29FNO5P

2-Methyl-2-propanyl (2S,3S,5S)-5-(diethoxyphosphoryl)-2-(4-fluorophenyl)-3-pyrrolidinecarboxylate

  • Molecular FormulaC19H29FNO5P
  • Average mass401.409 Da
  • Monoisotopic mass401.176727 Da
  • ChemSpider ID30660093

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,5S)-5-(Diéthoxyphosphoryl)-2-(4-fluorophényl)-3-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3S,5S)-5-(diethoxyphosphoryl)-2-(4-fluorophenyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3S,5S)-5-(diethoxyphosphoryl)-2-(4-fluorphenyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 5-(diethoxyphosphinyl)-2-(4-fluorophenyl)-, 1,1-dimethylethyl ester, (2S,3S,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.9±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 31.91
ACD/KOC (pH 5.5): 360.64
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.92
ACD/KOC (pH 7.4): 586.72
Polar Surface Area: 84 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 339.4±5.0 cm3

Click to predict properties on the Chemicalize site


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