ChemSpider 2D Image | (17alpha)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl acetate | C22H26O3

(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl acetate

  • Molecular FormulaC22H26O3
  • Average mass338.440 Da
  • Monoisotopic mass338.188202 Da
  • ChemSpider ID18504541

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-in-3-yl-acetat [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl acetate [ACD/IUPAC Name]
Acétate de (17α)-17-hydroxy-19-norprégna-1,3,5(10)-trién-20-yn-3-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 17-ethynyl-, 3-acetate, (17β)- [ACD/Index Name]
(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol 3-acetate
[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17-diol 3-acetate
5779-47-5 [RN]
ETHYNYL ESTRADIOL 3-ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 186.8±21.5 °C
Index of Refraction: 1.594
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 671.90
ACD/KOC (pH 5.5): 3676.08
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 671.90
ACD/KOC (pH 7.4): 3676.08
Polar Surface Area: 47 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 282.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement