ChemSpider 2D Image | (8alpha,13alpha,17beta)-3,17-Bis(methoxymethoxy)estra-1(10),2,4-triene | C22H32O4

(8α,13α,17β)-3,17-Bis(methoxymethoxy)estra-1(10),2,4-triene

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID62453688

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8α,13α,17β)-3,17-Bis(methoxymethoxy)estra-1(10),2,4-trien [German] [ACD/IUPAC Name]
(8α,13α,17β)-3,17-Bis(methoxymethoxy)estra-1(10),2,4-triene [ACD/IUPAC Name]
(8α,13α,17β)-3,17-Bis(méthoxyméthoxy)estra-1(10),2,4-triène [French] [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3,17-Bis(methoxymethoxy)estra-1,3,5(10)-trien [German] [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3,17-Bis(methoxymethoxy)estra-1,3,5(10)-triene [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3,17-Bis(méthoxyméthoxy)estra-1,3,5(10)-triène [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene, 3,17-bis(methoxymethoxy)-, (8α,13α,17β)- [ACD/Index Name]
Estra-1,3,5(10)-triene, 3,17-bis(methoxymethoxy)-, (8α,9β,13α,14β,17α)- [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: 463.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 117.6±35.6 °C
Index of Refraction: 1.544
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 825.94
ACD/KOC (pH 5.5): 4261.39
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 825.94
ACD/KOC (pH 7.4): 4261.39
Polar Surface Area: 37 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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