ChemSpider 2D Image | (3beta,11beta)-17-Acetoxy-6,11-dichloro-20-oxo-19-norpregna-4,6-dien-3-yl benzoate | C29H32Cl2O5

(3β,11β)-17-Acetoxy-6,11-dichloro-20-oxo-19-norpregna-4,6-dien-3-yl benzoate

  • Molecular FormulaC29H32Cl2O5
  • Average mass531.467 Da
  • Monoisotopic mass530.162659 Da
  • ChemSpider ID166079
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β,11β)-17-Acetoxy-6,11-dichlor-20-oxo-19-norpregna-4,6-dien-3-yl-benzoat [German] [ACD/IUPAC Name]
(3β,11β)-17-Acetoxy-6,11-dichloro-20-oxo-19-norpregna-4,6-dien-3-yl benzoate [ACD/IUPAC Name]
Benzoate de (3β,11β)-17-acétoxy-6,11-dichloro-20-oxo-19-norprégna-4,6-dién-3-yle [French] [ACD/IUPAC Name]
Ethanone, 1-[(3β,11β,17α)-17-(acetyloxy)-3-(benzoyloxy)-6,11-dichloroestra-4,6-dien-17-yl]- [ACD/Index Name]
(3|A,11|A,17|A)-17-acetyl-17-(acetyloxy)-6,11-dichloroestra-4,6-dien-3-yl benzoate
52468-90-3 [RN]
55539-04-3 [RN]
6,11β-Dichloro-3β,17-dihydroxy-19-nor-4,6-pregnadien-20-one-17-acetate-3β-benzoate
GR 2-2132
GR-2-2132

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 197.4±30.5 °C
Index of Refraction: 1.595
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26098.24
ACD/KOC (pH 5.5): 50465.58
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26098.24
ACD/KOC (pH 7.4): 50465.58
Polar Surface Area: 70 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 405.7±5.0 cm3

Click to predict properties on the Chemicalize site






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