ChemSpider 2D Image | (17alpha)-3-[(~2~H_3_)Methyloxy]-19-norpregna-1(10),2,4,9(11)-tetraen-20-yn-17-ol | C21H21D3O2

(17α)-3-[(2H3)Methyloxy]-19-norpregna-1(10),2,4,9(11)-tetraen-20-yn-17-ol

  • Molecular FormulaC21H21D3O2
  • Average mass311.432 Da
  • Monoisotopic mass311.196472 Da
  • ChemSpider ID58780471
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(17α)-3-[(2H3)Methyloxy]-19-norpregna-1(10),2,4,9(11)-tetraen-20-in-17-ol [German] [ACD/IUPAC Name]
(17α)-3-[(2H3)Methyloxy]-19-norpregna-1(10),2,4,9(11)-tetraen-20-yn-17-ol [ACD/IUPAC Name]
(17α)-3-[(2H3)Méthyloxy]-19-norprégna-1(10),2,4,9(11)-tétraén-20-yn-17-ol [French] [ACD/IUPAC Name]
Estra-1(10),2,4,9(11)-tetraen-17-ol, 17-ethynyl-3-(methyl-d3-oxy)-, (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: 460.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 204.8±23.0 °C
Index of Refraction: 1.610
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.92
ACD/KOC (pH 5.5): 3542.05
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.92
ACD/KOC (pH 7.4): 3542.04
Polar Surface Area: 29 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 262.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement