ChemSpider 2D Image | 4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate | C26H37NO6

4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate

  • Molecular FormulaC26H37NO6
  • Average mass459.575 Da
  • Monoisotopic mass459.262085 Da
  • ChemSpider ID60759728

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl 5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinate [ACD/IUPAC Name]
4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl-5-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-norleucinat [German] [ACD/IUPAC Name]
5-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-norleucinate de 4-butyl-8-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-5-methyl-, 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
(4-butyl-8-methyl-2-oxochromen-7-yl) (2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
2061423-22-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 587.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±3.0 kJ/mol
    Flash Point: 309.1±30.1 °C
    Index of Refraction: 1.516
    Molar Refractivity: 126.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 7.24
    ACD/LogD (pH 5.5): 5.98
    ACD/BCF (pH 5.5): 20784.91
    ACD/KOC (pH 5.5): 42877.54
    ACD/LogD (pH 7.4): 5.98
    ACD/BCF (pH 7.4): 20779.45
    ACD/KOC (pH 7.4): 42866.29
    Polar Surface Area: 91 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 417.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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