ChemSpider 2D Image | trans-4-[({2-[(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid | C25H31NO6

trans-4-[({2-[(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC25H31NO6
  • Average mass441.517 Da
  • Monoisotopic mass441.215149 Da
  • ChemSpider ID21526723

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide trans-4-[({2-[(4-méthyl-6-oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-3-yl)oxy]propanoyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[1-oxo-2-[(7,8,9,10-tetrahydro-4-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]propyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[({2-[(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[({2-[(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]propanoyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
1212426-23-7 [RN]
4-{[2-(4-Methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yloxy)-propionylamino]-methyl}-cyclohexanecarboxylic acid
4-{[2-(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[1,2-c]chromen-3-yloxy)propanoylamino]methyl}cyclohexanecarboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 721.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.6±3.0 kJ/mol
    Flash Point: 390.2±32.9 °C
    Index of Refraction: 1.594
    Molar Refractivity: 117.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 3.44
    ACD/BCF (pH 5.5): 160.17
    ACD/KOC (pH 5.5): 800.96
    ACD/LogD (pH 7.4): 1.65
    ACD/BCF (pH 7.4): 2.60
    ACD/KOC (pH 7.4): 12.98
    Polar Surface Area: 102 Å2
    Polarizability: 46.4±0.5 10-24cm3
    Surface Tension: 56.7±5.0 dyne/cm
    Molar Volume: 345.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement