ChemSpider 2D Image | (17beta)-17-Hydroxyestra-1,3,5(10)-trien-3-yl heptanoate | C25H36O3

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl heptanoate

  • Molecular FormulaC25H36O3
  • Average mass384.552 Da
  • Monoisotopic mass384.266449 Da
  • ChemSpider ID18624228

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl heptanoate [ACD/IUPAC Name]
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (17β)-17-hydroxyestra-1,3,5(10)-trién-3-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl ester [ACD/Index Name]
[4956-37-0] [RN]
4956-37-0 [RN]
55540-97-1 [RN]
Estradiol enanthate [USAN] [Wiki]
MFCD00056542 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 513.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 199.1±22.9 °C
Index of Refraction: 1.546
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 50918.97
ACD/KOC (pH 5.5): 81426.66
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 50918.97
ACD/KOC (pH 7.4): 81426.66
Polar Surface Area: 47 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

Click to predict properties on the Chemicalize site


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