ChemSpider 2D Image | 5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate | C26H28N2O10

5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate

  • Molecular FormulaC26H28N2O10
  • Average mass528.508 Da
  • Monoisotopic mass528.174377 Da
  • ChemSpider ID4823850

More details:

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

5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)isoleucinate
5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinate [ACD/IUPAC Name]
5-Hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-chromen-7-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}isoleucinat [German] [ACD/IUPAC Name]
Isoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, 5-hydroxy-3-(4-nitrophenoxy)-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}isoleucinate de 5-hydroxy-3-(4-nitrophénoxy)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
[5-hydroxy-3-(4-nitrophenoxy)-4-oxochromen-7-yl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
5-hydroxy-3-{4-nitrophenoxy}-4-oxo-4H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]-3-methylpentanoate
SMTKGUBHBPDLJT-UHFFFAOYSA-N

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

AE-848/07789006 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 693.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.2±3.0 kJ/mol
    Flash Point: 373.2±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 132.8±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 6.79
    ACD/LogD (pH 5.5): 5.12
    ACD/BCF (pH 5.5): 3699.23
    ACD/KOC (pH 5.5): 9626.24
    ACD/LogD (pH 7.4): 3.48
    ACD/BCF (pH 7.4): 83.63
    ACD/KOC (pH 7.4): 217.63
    Polar Surface Area: 166 Å2
    Polarizability: 52.6±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 394.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement