ChemSpider 2D Image | Ralinepag | C23H26ClNO5

Ralinepag

  • Molecular FormulaC23H26ClNO5
  • Average mass431.909 Da
  • Monoisotopic mass431.149963 Da
  • ChemSpider ID32056949

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Ralinepag [INN] [USAN]
{[trans-4-({[(4-Chlorophenyl)(phenyl)carbamoyl]oxy}methyl)cyclohexyl]methoxy}acetic acid [ACD/IUPAC Name]
{[trans-4-({[(4-Chlorphenyl)(phenyl)carbamoyl]oxy}methyl)cyclohexyl]methoxy}essigsäure [German] [ACD/IUPAC Name]
1187856-49-0 [RN]
2-[[trans-4-[[[(4-chlorophenyl)(phenyl)carbamoyl]oxy]methyl]cyclohexyl]methoxy]acetic acid
Acetic acid, 2-[[trans-4-[[[[(4-chlorophenyl)phenylamino]carbonyl]oxy]methyl]cyclohexyl]methoxy]- [ACD/Index Name]
Acide {[trans-4-({[(4-chlorophényl)(phényl)carbamoyl]oxy}méthyl)cyclohexyl]méthoxy}acétique [French] [ACD/IUPAC Name]
APD811
CQY12ZJN6E
ralinepag [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10029 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.1±3.0 kJ/mol
    Flash Point: 322.2±25.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 114.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 51.57
    ACD/KOC (pH 5.5): 158.88
    ACD/LogD (pH 7.4): 1.66
    ACD/BCF (pH 7.4): 1.55
    ACD/KOC (pH 7.4): 4.76
    Polar Surface Area: 76 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 343.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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