ChemSpider 2D Image | (4aR,4bS,7R,9aS,9bR)-7-Acetyl-11-chloro-4a,6a-dimethyl-2-oxo-2,4,4a,4b,5,6,6a,7,8,9,9a,9b-dodecahydroindeno[4,5-h]isochromen-7-yl acetate | C22H27ClO5

(4aR,4bS,7R,9aS,9bR)-7-Acetyl-11-chloro-4a,6a-dimethyl-2-oxo-2,4,4a,4b,5,6,6a,7,8,9,9a,9b-dodecahydroindeno[4,5-h]isochromen-7-yl acetate

  • Molecular FormulaC22H27ClO5
  • Average mass406.900 Da
  • Monoisotopic mass406.154694 Da
  • ChemSpider ID58816353

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4aR,4bS,7R,9aS,9bR)-7-Acetyl-11-chlor-4a,6a-dimethyl-2-oxo-2,4,4a,4b,5,6,6a,7,8,9,9a,9b-dodecahydroindeno[4,5-h]isochromen-7-yl-acetat [German] [ACD/IUPAC Name]
(4aR,4bS,7R,9aS,9bR)-7-Acetyl-11-chloro-4a,6a-dimethyl-2-oxo-2,4,4a,4b,5,6,6a,7,8,9,9a,9b-dodecahydroindeno[4,5-h]isochromen-7-yl acetate [ACD/IUPAC Name]
Acétate de (4aR,4bS,7R,9aS,9bR)-7-acétyl-11-chloro-4a,6a-diméthyl-2-oxo-2,4,4a,4b,5,6,6a,7,8,9,9a,9b-dodécahydroindéno[4,5-h]isochromén-7-yle [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one, 7-acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethyl-, (4aR,4bS,7R,9aS,9bR)- [ACD/Index Name]
105149-00-6 [RN]
Osaterone acetate ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 188.2±29.1 °C
Index of Refraction: 1.565
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 225.86
ACD/KOC (pH 5.5): 1684.57
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.86
ACD/KOC (pH 7.4): 1684.57
Polar Surface Area: 70 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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