ChemSpider 2D Image | (7beta,8xi,9beta,10xi,13xi,14beta,17alpha)-17-Hydroxy-7-iodo-17-methylestran-3-one | C19H29IO2

(7β,8ξ,9β,10ξ,13ξ,14β,17α)-17-Hydroxy-7-iodo-17-methylestran-3-one

  • Molecular FormulaC19H29IO2
  • Average mass416.337 Da
  • Monoisotopic mass416.121216 Da
  • ChemSpider ID31106401

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(7β,8ξ,9β,10ξ,13ξ,14β,17α)-17-Hydroxy-7-iod-17-methylestran-3-on [German] [ACD/IUPAC Name]
(7β,8ξ,9β,10ξ,13ξ,14β,17α)-17-Hydroxy-7-iodo-17-methylestran-3-one [ACD/IUPAC Name]
(7β,8ξ,9β,10ξ,13ξ,14β,17α)-17-Hydroxy-7-iodo-17-méthylestran-3-one [French] [ACD/IUPAC Name]
Estran-3-one, 17-hydroxy-7-iodo-17-methyl-, (7β,8ξ,9β,10ξ,13ξ,14β,17α)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 476.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 241.7±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.14
ACD/KOC (pH 5.5): 3495.11
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.14
ACD/KOC (pH 7.4): 3495.11
Polar Surface Area: 37 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 284.8±5.0 cm3

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