ChemSpider 2D Image | 5-(Benzyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo(~2~H_5_)pentanoic acid (non-preferred name) | C17H18D5NO6

5-(Benzyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo(2H5)pentanoic acid (non-preferred name)

  • Molecular FormulaC17H18D5NO6
  • Average mass342.398 Da
  • Monoisotopic mass342.183929 Da
  • ChemSpider ID107437144

  • Non-standard isotope - Non-standard isotope

More details:

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

5-(Benzyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo(2H5)pentanoic acid (non-preferred name) [ACD/IUPAC Name]
5-(Benzyloxy)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo(2H5)pentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide 5-(benzyloxy)-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxo(2H5)pentanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Glutamic-2,3,3,4,4-d5 acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester [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: 522.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 14.72
ACD/KOC (pH 5.5): 115.34
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 102 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

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