ChemSpider 2D Image | 1-Benzyl 6-ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanedioate | C20H27NO7

1-Benzyl 6-ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanedioate

  • Molecular FormulaC20H27NO7
  • Average mass393.431 Da
  • Monoisotopic mass393.178741 Da
  • ChemSpider ID60600310

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanedioate de 1-benzyle et de 6-éthyle [French] [ACD/IUPAC Name]
1-Benzyl 6-ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexanedioate [ACD/IUPAC Name]
1-Benzyl-6-ethyl-(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxohexandioat [German] [ACD/IUPAC Name]
Hexanedioic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, 6-ethyl 1-(phenylmethyl) ester, (2S)- [ACD/Index Name]
(S)-1-Benzyl 6-ethyl 2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate
1-benzyl 6-ethyl (S)-2-((tert-butoxycarbonyl)amino)-4-oxohexanedioate
250291-82-8 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 528.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 273.2±30.1 °C
    Index of Refraction: 1.507
    Molar Refractivity: 100.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 4.96
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 168.57
    ACD/KOC (pH 5.5): 1366.29
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 168.17
    ACD/KOC (pH 7.4): 1363.00
    Polar Surface Area: 108 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 337.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement