ChemSpider 2D Image | 3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate | C32H37NO8

3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate

  • Molecular FormulaC32H37NO8
  • Average mass563.638 Da
  • Monoisotopic mass563.251892 Da
  • ChemSpider ID21531944

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-3-propanoic acid, 4,8-dimethyl-2-oxo-7-[[[trans-4-[[[(phenylmethoxy)carbonyl]amino]methyl]cyclohexyl]carbonyl]oxy]-, ethyl ester [ACD/Index Name]
3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate [ACD/IUPAC Name]
3-(3-Ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl-trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
trans-4-({[(Benzyloxy)carbonyl]amino}méthyl)cyclohexanecarboxylate de 3-(3-éthoxy-3-oxopropyl)-4,8-diméthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
[3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate
1212205-93-0 [RN]
AC1MVY4X
AGN-PC-0KZ1ZD
MCULE-7716409711
MolPort-000-801-432
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 717.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±3.0 kJ/mol
    Flash Point: 387.8±32.9 °C
    Index of Refraction: 1.557
    Molar Refractivity: 150.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.40
    ACD/LogD (pH 5.5): 6.45
    ACD/BCF (pH 5.5): 47131.86
    ACD/KOC (pH 5.5): 77044.41
    ACD/LogD (pH 7.4): 6.45
    ACD/BCF (pH 7.4): 47131.55
    ACD/KOC (pH 7.4): 77043.91
    Polar Surface Area: 117 Å2
    Polarizability: 59.6±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 467.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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