ChemSpider 2D Image | (8S)-8-[(1S)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione | C21H20O8

(8S)-8-[(1S)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID23976618

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(8S)-8-[(1S)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S)-8-[(1S)-1,2-Dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8S)-8-[(1S)-1,2-Dihydroxyéthyl]-6,8,11-trihydroxy-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S)- [ACD/Index Name]
(8S)-8-(1,2-Dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
(9S)-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
1219117-30-2 [RN]
187105-52-8 [RN]
7-Deoxy Doxorubicinol Aglycone (Mixture of Diastereomers)

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 765.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.9±3.0 kJ/mol
    Flash Point: 274.8±26.4 °C
    Index of Refraction: 1.719
    Molar Refractivity: 99.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 91.73
    ACD/KOC (pH 5.5): 881.53
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 52.61
    ACD/KOC (pH 7.4): 505.58
    Polar Surface Area: 145 Å2
    Polarizability: 39.5±0.5 10-24cm3
    Surface Tension: 89.1±3.0 dyne/cm
    Molar Volume: 252.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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