ChemSpider 2D Image | (13alpha,14beta,17alpha)-(16,16,17-~2~H_3_)Estra-1(10),2,4,8-tetraene-3,17-diol | C18H19D3O2

(13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,8-tetraene-3,17-diol

  • Molecular FormulaC18H19D3O2
  • Average mass273.385 Da
  • Monoisotopic mass273.180817 Da
  • ChemSpider ID78075946

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,8-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,8-tetraene-3,17-diol [ACD/IUPAC Name]
(13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,8-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4,8-tetraene-16,16,17-d3-3,17-diol, (13α,14β,17α)- [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: 457.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 216.9±23.3 °C
Index of Refraction: 1.637
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 592.17
ACD/KOC (pH 5.5): 3358.28
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 591.80
ACD/KOC (pH 7.4): 3356.23
Polar Surface Area: 40 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 219.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement