Found 74 results

Search term: MF = 'C_{29}H_{32}ClNO_{6}'
ChemSpider 2D Image | 4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate | C29H32ClNO6

4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID21526977

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Butyl-6-chlor-2-oxo-2H-chromen-7-yl-trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
4-Butyl-6-chloro-2-oxo-2H-chromen-7-yl trans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl ester, trans- [ACD/Index Name]
trans-4-({[(Benzyloxy)carbonyl]amino}méthyl)cyclohexanecarboxylate de 4-butyl-6-chloro-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
1212127-94-0 [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: 691.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.3±3.0 kJ/mol
    Flash Point: 372.1±31.5 °C
    Index of Refraction: 1.570
    Molar Refractivity: 139.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 7.32
    ACD/LogD (pH 5.5): 6.83
    ACD/BCF (pH 5.5): 91114.52
    ACD/KOC (pH 5.5): 123495.86
    ACD/LogD (pH 7.4): 6.83
    ACD/BCF (pH 7.4): 91113.91
    ACD/KOC (pH 7.4): 123495.05
    Polar Surface Area: 91 Å2
    Polarizability: 55.2±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 424.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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