ChemSpider 2D Image | 17?-estradiol 17-acetate | C20H26O3

17?-estradiol 17-acetate

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID18512517

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-3-Hydroxyestra-1,3,5(10)-trien-17-yl acetate [ACD/IUPAC Name]
(17α)-3-Hydroxyestra-1,3,5(10)-trien-17-yl-acetat [German] [ACD/IUPAC Name]
15068-99-2 [RN]
17?-estradiol 17-acetate
Acétate de (17α)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 17-acetate, (17α)- [ACD/Index Name]
[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
17α-Estradiol 17-acetate
17α-ESTRADIOL 17-ACETATE
More...

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

6Q56E8Z1TM [DBID]
UNII:6Q56E8Z1TM [DBID]
UNII-6Q56E8Z1TM [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 181.9±21.5 °C
Index of Refraction: 1.583
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1354.62
ACD/KOC (pH 5.5): 6072.27
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1352.77
ACD/KOC (pH 7.4): 6063.98
Polar Surface Area: 47 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 265.4±5.0 cm3

Click to predict properties on the Chemicalize site


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