ChemSpider 2D Image | (4S)-4-Ethyl-4,9-dihydroxy-10-{[(~2~H_3_)methylamino]methyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H18D3N3O5

(4S)-4-Ethyl-4,9-dihydroxy-10-{[(2H3)methylamino]methyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

  • Molecular FormulaC22H18D3N3O5
  • Average mass410.438 Da
  • Monoisotopic mass410.166962 Da
  • ChemSpider ID48058077

  • 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-4,9-dihydroxy-10-{[(2H3)methylamino]methyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dion [German] [ACD/IUPAC Name]
(4S)-4-Éthyl-4,9-dihydroxy-10-{[(2H3)méthylamino]méthyl}-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione [French] [ACD/IUPAC Name]
(4S)-4-Ethyl-4,9-dihydroxy-10-{[(2H3)methylamino]methyl}-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-4,9-dihydroxy-10-[(methyl-d3-amino)methyl]-, (4S)- [ACD/Index Name]
1217633-79-8 [RN]
n-desmethyl topotecan-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: 815.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.3±3.0 kJ/mol
    Flash Point: 447.0±34.3 °C
    Index of Refraction: 1.744
    Molar Refractivity: 107.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): -1.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.78
    Polar Surface Area: 112 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 85.8±5.0 dyne/cm
    Molar Volume: 266.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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