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ChemSpider 2D Image | 6-Chloro-20-oxopregna-4,6-diene-3,17-diyl diacetate | C25H33ClO5

6-Chloro-20-oxopregna-4,6-diene-3,17-diyl diacetate

  • Molecular FormulaC25H33ClO5
  • Average mass448.979 Da
  • Monoisotopic mass448.201660 Da
  • ChemSpider ID68843772
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

6-Chlor-20-oxopregna-4,6-dien-3,17-diyl-diacetat [German] [ACD/IUPAC Name]
6-Chloro-20-oxopregna-4,6-diene-3,17-diyl diacetate [ACD/IUPAC Name]
Diacétate de 6-chloro-20-oxoprégna-4,6-diène-3,17-diyle [French] [ACD/IUPAC Name]
Pregna-4,6-dien-20-one, 3,17-bis(acetyloxy)-6-chloro- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 167.1±29.1 °C
Index of Refraction: 1.553
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2821.49
ACD/KOC (pH 5.5): 10267.09
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2821.49
ACD/KOC (pH 7.4): 10267.09
Polar Surface Area: 70 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

Click to predict properties on the Chemicalize site






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