ChemSpider 2D Image | (17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-methylbutanoate | C23H32O3

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

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID29789725

  • 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 3-methylbutanoate [ACD/IUPAC Name]
(17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (17β)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (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-(3-methylbutanoate)
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-methylbutanoate
869627-83-8 [RN]
Estradiol 17-isovalerate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 481.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 188.8±21.5 °C
Index of Refraction: 1.566
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11860.11
ACD/KOC (pH 5.5): 28695.84
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11843.50
ACD/KOC (pH 7.4): 28655.67
Polar Surface Area: 47 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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