ChemSpider 2D Image | (3alpha,5alpha)-3-Hydroxy(2,2,4,4-~2~H_4_)estran-17-one | C18H24D4O2

(3α,5α)-3-Hydroxy(2,2,4,4-2H4)estran-17-one

  • Molecular FormulaC18H24D4O2
  • Average mass280.438 Da
  • Monoisotopic mass280.234039 Da
  • ChemSpider ID62986005

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5α)-3-Hydroxy(2,2,4,4-2H4)estran-17-on [German] [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy(2,2,4,4-2H4)estran-17-one [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy(2,2,4,4-2H4)estran-17-one [French] [ACD/IUPAC Name]
Estran-17-one-2,2,4,4-d4, 3-hydroxy-, (3α,5α)- [ACD/Index Name]
361432-47-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 412.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±6.0 kJ/mol
Flash Point: 176.3±21.3 °C
Index of Refraction: 1.536
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.91
ACD/KOC (pH 5.5): 1620.26
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.91
ACD/KOC (pH 7.4): 1620.26
Polar Surface Area: 37 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement