ChemSpider 2D Image | (4S)-4-Ethyl-11-[(2,2,2-~2~H_3_)ethyl]-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H17D3N2O5

(4S)-4-Ethyl-11-[(2,2,2-2H3)ethyl]-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC22H17D3N2O5
  • Average mass395.423 Da
  • Monoisotopic mass395.156067 Da
  • ChemSpider ID23937162

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-Ethyl-11-[(2,2,2-2H3)ethyl]-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4S)-4-Éthyl-11-[(2,2,2-2H3)éthyl]-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4S)-4-Ethyl-11-[(2,2,2-2H3)ethyl]-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione [ACD/IUPAC Name]
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-11-(ethyl-2,2,2-d3)-4,9-dihydroxy-, (4S)- [ACD/Index Name]
(4S)-4-Ethyl-11-(2,2,2-2H3)ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
718612-49-8 [RN]
SN-38-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 810.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.5±3.0 kJ/mol
    Flash Point: 443.8±34.3 °C
    Index of Refraction: 1.738
    Molar Refractivity: 104.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 11.76
    ACD/KOC (pH 5.5): 166.48
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.54
    ACD/KOC (pH 7.4): 319.09
    Polar Surface Area: 100 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 83.4±5.0 dyne/cm
    Molar Volume: 258.9±5.0 cm3

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