ChemSpider 2D Image | 5-Ethyl 1-methyl (4S)-N-acetyl-4-fluoro-4-(2-methyl-1,3-dithiolan-2-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-glutamate | C19H30FNO7S2

5-Ethyl 1-methyl (4S)-N-acetyl-4-fluoro-4-(2-methyl-1,3-dithiolan-2-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-glutamate

  • Molecular FormulaC19H30FNO7S2
  • Average mass467.572 Da
  • Monoisotopic mass467.144775 Da
  • ChemSpider ID30659300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-N-Acétyl-4-fluoro-4-(2-méthyl-1,3-dithiolan-2-yl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-glutamate de 5-éthyle et de 1-méthyle [French] [ACD/IUPAC Name]
5-Ethyl 1-methyl (4S)-N-acetyl-4-fluoro-4-(2-methyl-1,3-dithiolan-2-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-glutamate [ACD/IUPAC Name]
5-Ethyl-1-methyl-(4S)-N-acetyl-4-fluor-4-(2-methyl-1,3-dithiolan-2-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-glutamat [German] [ACD/IUPAC Name]
L-Glutamic acid, N-acetyl-N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-4-(2-methyl-1,3-dithiolan-2-yl)-, 5-ethyl 1-methyl ester, (4S)- [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: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 767.87
ACD/KOC (pH 5.5): 4044.74
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 767.87
ACD/KOC (pH 7.4): 4044.74
Polar Surface Area: 150 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 374.6±3.0 cm3

Click to predict properties on the Chemicalize site


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