ChemSpider 2D Image | 6-Bromo-16-methylene-3,20-dioxopregna-4,6-dien-17-yl acetate | C24H29BrO4

6-Bromo-16-methylene-3,20-dioxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC24H29BrO4
  • Average mass461.389 Da
  • Monoisotopic mass460.124908 Da
  • ChemSpider ID34249907
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

6-Brom-16-methylen-3,20-dioxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
6-Bromo-16-methylene-3,20-dioxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de 6-bromo-16-méthylène-3,20-dioxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-bromo-16-methylene- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.7±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 797.22
ACD/KOC (pH 5.5): 4154.81
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 797.22
ACD/KOC (pH 7.4): 4154.81
Polar Surface Area: 60 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 341.7±5.0 cm3

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