ChemSpider 2D Image | (8xi,11beta,14xi,16alpha)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate | C27H30Cl2O6

(8ξ,11β,14ξ,16α)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate

  • Molecular FormulaC27H30Cl2O6
  • Average mass521.430 Da
  • Monoisotopic mass520.141968 Da
  • ChemSpider ID8047065

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(8ξ,11β,14ξ,16α)-9,21-Dichlor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
(8ξ,11β,14ξ,16α)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, (8ξ,11β,14ξ,16α)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (8ξ,11β,14ξ,16α)-9,21-dichloro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
(8ξ,11β,14ξ,16α)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
(9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl furan-2-carboxylate
(9R,10S,11S,13S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl furan-2-carboxylate
[(9R,10S,11S,13S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
83919-23-7 [RN]
Elocom
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 655.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 350.2±31.5 °C
    Index of Refraction: 1.604
    Molar Refractivity: 130.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 603.61
    ACD/KOC (pH 5.5): 3404.61
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 603.61
    ACD/KOC (pH 7.4): 3404.60
    Polar Surface Area: 94 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 379.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement