ChemSpider 2D Image | (17alpha)-3-Hydroxyestra-1(10),2,4-trien-17-yl valerate | C23H32O3

(17α)-3-Hydroxyestra-1(10),2,4-trien-17-yl valerate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID27524374

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-3-Hydroxyestra-1(10),2,4-trien-17-yl valerate [ACD/IUPAC Name]
(17α)-3-Hydroxyestra-1(10),2,4-trien-17-ylvalerat [German] [ACD/IUPAC Name]
182624-54-0 [RN]
Pentanoic acid, (17α)-3-hydroxyestra-1(10),2,4-trien-17-yl ester [ACD/Index Name]
Valérate de (17α)-3-hydroxyestra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
(17a)-Estra-1,3,5(10)-triene-3,17-diol 17-pentanoate
[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
17??-Estradiol 17-Valerate
17a-Estradiol 17-valerate
17-epi-Estradiol Valerate
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 191.1±21.5 °C
Index of Refraction: 1.568
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13720.17
ACD/KOC (pH 5.5): 31849.90
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13700.98
ACD/KOC (pH 7.4): 31805.34
Polar Surface Area: 47 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

Click to predict properties on the Chemicalize site


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