Found 4 results

Search term: QHTAUDUBRNENFJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (9xi,14xi,17xi)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-6-one | C20H22O3

(9ξ,14ξ,17ξ)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-6-one

  • Molecular FormulaC20H22O3
  • Average mass310.387 Da
  • Monoisotopic mass310.156891 Da
  • ChemSpider ID29790364

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(9ξ,14ξ,17ξ)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-in-6-on [German] [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-6-one [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-3,17-Dihydroxy-19-norprégna-1,3,5(10)-trién-20-yn-6-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-6-one, 17-ethynyl-3,17-dihydroxy-, (9ξ,14ξ)- [ACD/Index Name]
(17a)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-6-one
3,17b-Dihydroxy-17a-ethynylestra-1,3,5(10)-trien-6-one
38002-18-5 [RN]
6-Keto ethynyl estradiol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 262.9±25.2 °C
Index of Refraction: 1.635
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.57
ACD/KOC (pH 5.5): 1295.90
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.80
ACD/KOC (pH 7.4): 1281.23
Polar Surface Area: 58 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

Click to predict properties on the Chemicalize site


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