ChemSpider 2D Image | 8-Methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate | C26H31NO7

8-Methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate

  • Molecular FormulaC26H31NO7
  • Average mass469.527 Da
  • Monoisotopic mass469.210052 Da
  • ChemSpider ID30668454

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

8-Methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate [ACD/IUPAC Name]
8-Methoxy-4-methyl-6-oxo-6H-benzo[c]chromen-3-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinat [German] [ACD/IUPAC Name]
D-Alloisoleucine, N-[(1,1-dimethylethoxy)carbonyl]-, 8-methoxy-4-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-D-alloisoleucinate de 8-méthoxy-4-méthyl-6-oxo-6H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl) (2R,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 628.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.9±3.0 kJ/mol
    Flash Point: 333.6±31.5 °C
    Index of Refraction: 1.550
    Molar Refractivity: 125.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.29
    ACD/LogD (pH 5.5): 5.81
    ACD/BCF (pH 5.5): 15321.47
    ACD/KOC (pH 5.5): 34468.71
    ACD/LogD (pH 7.4): 5.81
    ACD/BCF (pH 7.4): 15315.80
    ACD/KOC (pH 7.4): 34455.96
    Polar Surface Area: 100 Å2
    Polarizability: 49.7±0.5 10-24cm3
    Surface Tension: 44.8±3.0 dyne/cm
    Molar Volume: 393.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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