ChemSpider 2D Image | (7alpha,8xi,9xi,13xi,14xi)-21-{4-[2-(Diethylamino)ethoxy]phenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol | C33H47NO3

(7α,8ξ,9ξ,13ξ,14ξ)-21-{4-[2-(Diethylamino)ethoxy]phenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID8361162

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(7α,8ξ,9ξ,13ξ,14ξ)-21-{4-[2-(Diethylamino)ethoxy]phenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol [ACD/IUPAC Name]
(7α,8ξ,9ξ,13ξ,14ξ)-21-{4-[2-(Diethylamino)ethoxy]phenoxy}-7-methyl-19-norpregna-1,3,5(10)-trien-3-ol [German] [ACD/IUPAC Name]
(7α,8ξ,9ξ,13ξ,14ξ)-21-{4-[2-(Diéthylamino)éthoxy]phénoxy}-7-méthyl-19-norprégna-1,3,5(10)-trién-3-ol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-3-ol, 17-[2-[4-[2-(diethylamino)ethoxy]phenoxy]ethyl]-7-methyl-, (7α,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 488.03
ACD/KOC (pH 5.5): 393.53
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 3457.40
ACD/KOC (pH 7.4): 2787.92
Polar Surface Area: 42 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 475.4±3.0 cm3

Click to predict properties on the Chemicalize site


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