ChemSpider 2D Image | (11beta)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate | C28H37ClO7

(11β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID17468829

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(11β)-9-Chlor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(11β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
Dipropanoate de (11β)-9-chloro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β)- [ACD/Index Name]
(8S,9R,10S,11S,13S,14S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 630.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.2 mmHg at 25°C
    Enthalpy of Vaporization: 106.9±6.0 kJ/mol
    Flash Point: 335.1±31.5 °C
    Index of Refraction: 1.564
    Molar Refractivity: 133.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.59
    ACD/LogD (pH 5.5): 4.16
    ACD/BCF (pH 5.5): 850.12
    ACD/KOC (pH 5.5): 4350.33
    ACD/LogD (pH 7.4): 4.16
    ACD/BCF (pH 7.4): 850.12
    ACD/KOC (pH 7.4): 4350.32
    Polar Surface Area: 107 Å2
    Polarizability: 52.9±0.5 10-24cm3
    Surface Tension: 51.6±5.0 dyne/cm
    Molar Volume: 410.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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