ChemSpider 2D Image | 2-Methyl-2-propanyl (2S,3S)-3-{benzyl[(1S)-1-phenylethyl]amino}-5-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluoropentanoate | C30H46FNO3Si

2-Methyl-2-propanyl (2S,3S)-3-{benzyl[(1S)-1-phenylethyl]amino}-5-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluoropentanoate

  • Molecular FormulaC30H46FNO3Si
  • Average mass515.775 Da
  • Monoisotopic mass515.323120 Da
  • ChemSpider ID30659298

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-3-{Benzyl[(1S)-1-phényléthyl]amino}-5-{[diméthyl(2-méthyl-2-propanyl)silyl]oxy}-2-fluoropentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (2S,3S)-3-{benzyl[(1S)-1-phenylethyl]amino}-5-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluoropentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,3S)-3-{benzyl[(1S)-1-phenylethyl]amino}-5-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-2-fluorpentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-fluoro-3-[[(1S)-1-phenylethyl](phenylmethyl)amino]-, 1,1-dimethylethyl ester, (2S,3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 150.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 340922.16
ACD/KOC (pH 5.5): 268425.91
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 609813.81
ACD/KOC (pH 7.4): 480138.41
Polar Surface Area: 39 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 506.9±3.0 cm3

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