ChemSpider 2D Image | 3-(2-Methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate | C27H35NO8

3-(2-Methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate

  • Molecular FormulaC27H35NO8
  • Average mass501.569 Da
  • Monoisotopic mass501.236267 Da
  • ChemSpider ID21531976

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-3-acetic acid, 5-[[[trans-4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]cyclohexyl]carbonyl]oxy]-4,7-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
3-(2-Methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylate [ACD/IUPAC Name]
3-(2-Methoxy-2-oxoethyl)-4,7-dimethyl-2-oxo-2H-chromen-5-yl-trans-4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-[({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]cyclohexanecarboxylate de 3-(2-méthoxy-2-oxoéthyl)-4,7-diméthyl-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
1212081-26-9 [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: 645.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.3±3.0 kJ/mol
    Flash Point: 344.4±31.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 130.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): 4.85
    ACD/BCF (pH 5.5): 2877.16
    ACD/KOC (pH 5.5): 10411.69
    ACD/LogD (pH 7.4): 4.85
    ACD/BCF (pH 7.4): 2877.15
    ACD/KOC (pH 7.4): 10411.66
    Polar Surface Area: 117 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 423.0±3.0 cm3

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