ChemSpider 2D Image | (17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl hexanoate | C24H34O3

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

  • Molecular FormulaC24H34O3
  • Average mass370.525 Da
  • Monoisotopic mass370.250793 Da
  • ChemSpider ID29789724

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl hexanoate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-hexanoat [German] [ACD/IUPAC Name]
Hexanoate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
(17b)-Estra-1,3,5(10)-triene-3,17-diol 17-hexanoate
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
71764-18-6 [RN]
Estradiol 17-hexanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 497.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 194.1±21.5 °C
Index of Refraction: 1.563
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34130.94
ACD/KOC (pH 5.5): 61151.75
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34083.20
ACD/KOC (pH 7.4): 61066.21
Polar Surface Area: 47 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 330.1±5.0 cm3

Click to predict properties on the Chemicalize site


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