ChemSpider 2D Image | cipargamin | C19H14Cl2FN3O

cipargamin

  • Molecular FormulaC19H14Cl2FN3O
  • Average mass390.238 Da
  • Monoisotopic mass389.049805 Da
  • ChemSpider ID24662493

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-5',7-Dichlor-6-fluor-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
(1'R,3'S)-5,7'-Dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one
(1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-tetrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(1R,3S)-5',7-Dichloro-6-fluoro-3-méthyl-2,3,4,9-tétrahydrospiro[β-carboline-1,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indol]-2-one
1193314-23-6 [RN]
cipargamin [INN]
cipargamina [Spanish] [INN]
cipargamine [French] [INN]
cipargaminum [Latin] [INN]
More...

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

9865 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 621.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 329.6±31.5 °C
    Index of Refraction: 1.738
    Molar Refractivity: 99.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 4.61
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 311.57
    ACD/KOC (pH 5.5): 1446.71
    ACD/LogD (pH 7.4): 4.34
    ACD/BCF (pH 7.4): 1155.36
    ACD/KOC (pH 7.4): 5364.70
    Polar Surface Area: 57 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 72.5±5.0 dyne/cm
    Molar Volume: 246.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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