ChemSpider 2D Image | 2-Methyl-2-propanyl N-[3-(3-fluorophenyl)propanoyl]-D-phenylalaninate | C22H26FNO3

2-Methyl-2-propanyl N-[3-(3-fluorophenyl)propanoyl]-D-phenylalaninate

  • Molecular FormulaC22H26FNO3
  • Average mass371.445 Da
  • Monoisotopic mass371.189667 Da
  • ChemSpider ID30413624

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-[3-(3-fluorophenyl)propanoyl]-D-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[3-(3-fluorphenyl)propanoyl]-D-phenylalaninat [German] [ACD/IUPAC Name]
D-Phenylalanine, N-[3-(3-fluorophenyl)-1-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[3-(3-Fluorophényl)propanoyl]-D-phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL (2R)-2-[3-(3-FLUOROPHENYL)PROPANAMIDO]-3-PHENYLPROPANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1326.08
ACD/KOC (pH 5.5): 5980.46
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1326.08
ACD/KOC (pH 7.4): 5980.46
Polar Surface Area: 55 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

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