ChemSpider 2D Image | 2-Methyl-2-propanyl N-(3-fluoro-4-methoxybenzyl)-D-valinate | C17H26FNO3

2-Methyl-2-propanyl N-(3-fluoro-4-methoxybenzyl)-D-valinate

  • Molecular FormulaC17H26FNO3
  • Average mass311.392 Da
  • Monoisotopic mass311.189667 Da
  • ChemSpider ID63028038
  • 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-fluoro-4-methoxybenzyl)-D-valinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-(3-fluor-4-methoxybenzyl)-D-valinat [German] [ACD/IUPAC Name]
D-Valine, N-[(3-fluoro-4-methoxyphenyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(3-Fluoro-4-méthoxybenzyl)-D-valinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL (2R)-2-{[(3-FLUORO-4-METHOXYPHENYL)METHYL]AMINO}-3-METHYLBUTANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 378.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.7±26.5 °C
Index of Refraction: 1.485
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 33.47
ACD/KOC (pH 5.5): 209.54
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 364.86
ACD/KOC (pH 7.4): 2284.30
Polar Surface Area: 48 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 295.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement