ChemSpider 2D Image | (17beta)-17-Hydroxy(16,16,17-~2~H_3_)estra-1(10),2,4-trien-3-yl acetate | C20H23D3O3

(17β)-17-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-3-yl acetate

  • Molecular FormulaC20H23D3O3
  • Average mass317.437 Da
  • Monoisotopic mass317.207031 Da
  • ChemSpider ID107449777

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-3-yl acetate [ACD/IUPAC Name]
(17β)-17-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (17β)-17-hydroxy(16,16,17-2H3)estra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-16,16,17-d3-3,17-diol, 3-acetate, (17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 184.4±21.5 °C
Index of Refraction: 1.568
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.81
ACD/KOC (pH 5.5): 2841.23
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.81
ACD/KOC (pH 7.4): 2841.23
Polar Surface Area: 47 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement