ChemSpider 2D Image | (17beta)-3-Methoxyestra-1,3,5(10)-trien-17-yl decanoate | C29H44O3

(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl decanoate

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID23976057

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl decanoate [ACD/IUPAC Name]
(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl-decanoat [German] [ACD/IUPAC Name]
Décanoate de (17β)-3-méthoxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Decanoic acid, (17β)-3-methoxyestra-1,3,5(10)-trien-17-yl ester [ACD/Index Name]
[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate
1042947-85-2 [RN]
17-O-Decanoyl-3,17b-estradiol-3-methylether
3,17??-Estradiol-3-methylether-17-decanoate
3,17?-Estradiol-3-methylether-17-decanoate
3,17|A-Estradiol-3-methylether-17-decanoate
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 233.1±24.7 °C
Index of Refraction: 1.535
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.93
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3034989.75
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3034989.75
Polar Surface Area: 36 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


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