ChemSpider 2D Image | (16alpha)-17-Hydroxy-3,20-dioxopregn-4-ene-16,21-diyl diacetate | C25H34O7

(16α)-17-Hydroxy-3,20-dioxopregn-4-ene-16,21-diyl diacetate

  • Molecular FormulaC25H34O7
  • Average mass446.533 Da
  • Monoisotopic mass446.230438 Da
  • ChemSpider ID22875370

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16α)-17-Hydroxy-3,20-dioxopregn-4-en-16,21-diyl-diacetat [German] [ACD/IUPAC Name]
(16α)-17-Hydroxy-3,20-dioxopregn-4-ene-16,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (16α)-17-hydroxy-3,20-dioxoprégn-4-ène-16,21-diyle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 16,21-bis(acetyloxy)-17-hydroxy-, (16α)- [ACD/Index Name]
[2-[(8R,9S,10R,13S,14S,16R,17S)-16-acetyloxy-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((8R,9S,10R,13S,14S,16R,17S)-16-acetoxy-17-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
7392-86-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 572.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 98.6±6.0 kJ/mol
    Flash Point: 188.5±23.6 °C
    Index of Refraction: 1.556
    Molar Refractivity: 114.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 130.28
    ACD/KOC (pH 5.5): 1136.16
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 130.27
    ACD/KOC (pH 7.4): 1136.10
    Polar Surface Area: 107 Å2
    Polarizability: 45.5±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 357.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement