ChemSpider 2D Image | CLOCORTOLONE CAPROATE | C28H38ClFO5

CLOCORTOLONE CAPROATE

  • Molecular FormulaC28H38ClFO5
  • Average mass509.050 Da
  • Monoisotopic mass508.239166 Da
  • ChemSpider ID96796

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,11β,16α)-9-Chlor-6-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-hexanoat [German] [ACD/IUPAC Name]
(6α,11β,16α)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate [ACD/IUPAC Name]
225-513-9 [EINECS]
4891-71-8 [RN]
CLOCORTOLONE CAPROATE
Hexanoate de (6α,11β,16α)-9-chloro-6-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (6α,11β,16α)-9-chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hexanoate
2-((6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-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)-2-oxoethyl hexanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

871M9PSU7T [DBID]
UNII:871M9PSU7T [DBID]
UNII-871M9PSU7T [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 616.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.8±6.0 kJ/mol
    Flash Point: 326.5±31.5 °C
    Index of Refraction: 1.550
    Molar Refractivity: 131.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 5.21
    ACD/BCF (pH 5.5): 5346.22
    ACD/KOC (pH 5.5): 16222.89
    ACD/LogD (pH 7.4): 5.21
    ACD/BCF (pH 7.4): 5346.21
    ACD/KOC (pH 7.4): 16222.86
    Polar Surface Area: 81 Å2
    Polarizability: 52.2±0.5 10-24cm3
    Surface Tension: 47.1±5.0 dyne/cm
    Molar Volume: 413.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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