ChemSpider 2D Image | (8xi,9xi,14xi,17alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol | C21H26O2

(8ξ,9ξ,14ξ,17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol

  • Molecular FormulaC21H26O2
  • Average mass310.430 Da
  • Monoisotopic mass310.193268 Da
  • ChemSpider ID21117745

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-in-17-ol [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17α)-3-Méthoxy-19-norprégna-1,3,5(10)-trién-20-yn-17-ol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-ol, 17-ethynyl-3-methoxy-, (8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether
72-33-3 [RN]
mestranol [BAN] [INN] [JAN] [JP15] [USAN] [USP] [Wiki]
Pharmakon1600-01500388

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 190.8±23.0 °C
Index of Refraction: 1.591
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1059.16
ACD/KOC (pH 5.5): 5091.75
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1059.16
ACD/KOC (pH 7.4): 5091.74
Polar Surface Area: 29 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 269.4±5.0 cm3

Click to predict properties on the Chemicalize site


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