ChemSpider 2D Image | (8xi,9xi,14xi)-3-Hydroxy-4-iodo-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one | C22H29IO2

(8ξ,9ξ,14ξ)-3-Hydroxy-4-iodo-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC22H29IO2
  • Average mass452.369 Da
  • Monoisotopic mass452.121216 Da
  • ChemSpider ID26592636

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-3-Hydroxy-4-iod-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-3-Hydroxy-4-iodo-2-(2-methyl-2-propanyl)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-3-Hydroxy-4-iodo-2-(2-méthyl-2-propanyl)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 2-(1,1-dimethylethyl)-3-hydroxy-4-iodo-, (8ξ,9ξ,14ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 232.6±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14227.42
ACD/KOC (pH 5.5): 32688.38
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14205.02
ACD/KOC (pH 7.4): 32636.91
Polar Surface Area: 37 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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