ChemSpider 2D Image | Debromide (11alpha,11alpha-dihydro-pregn-1,4-iene-3,20-dione) | C21H28O4

Debromide (11α,11α-dihydro-pregn-1,4-iene-3,20-dione)

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID23089415

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Debromide (11α,11α-dihydro-pregn-1,4-iene-3,20-dione)
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-, (8ξ,9ξ,10ξ,11α,13ξ,14ξ)- [ACD/Index Name]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.3±6.0 kJ/mol
Flash Point: 286.8±26.6 °C
Index of Refraction: 1.593
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.96
ACD/KOC (pH 5.5): 317.62
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.96
ACD/KOC (pH 7.4): 317.62
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 277.4±5.0 cm3

Click to predict properties on the Chemicalize site


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