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

(8R)-8-(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 ID23935799

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(8R)-8-(1,2-Dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8R)-8-(1,2-Dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8R)-8-(1,2-Dihydroxyéthyl)-6,8,11-trihydroxy-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
187105-52-8 [RN]
5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8R)- [ACD/Index Name]
7-DEOXY DOXORUBICINOL AGLYCONE
7-Deoxy Doxorubicinol Aglycone (Mixture of Diastereomers)
Doxorubicinol deoxaglycone
MFCD09840328

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

    Density: 1.6±0.0 g/cm3
    Boiling Point: 765.3±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 116.9±0.0 kJ/mol
    Flash Point: 274.8±0.0 °C
    Index of Refraction: 1.719
    Molar Refractivity: 99.7±0.0 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.60
    ACD/KOC (pH 5.5): 236.49
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 8.37
    ACD/KOC (pH 7.4): 135.63
    Polar Surface Area: 145 Å2
    Polarizability: 39.5±0.0 10-24cm3
    Surface Tension: 89.1±0.0 dyne/cm
    Molar Volume: 252.8±0.0 cm3

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