ChemSpider 2D Image | (17beta)-Estra-1(10),2,4-triene-3,17-diyl diundecanoate | C40H64O4

(17β)-Estra-1(10),2,4-triene-3,17-diyl diundecanoate

  • Molecular FormulaC40H64O4
  • Average mass608.934 Da
  • Monoisotopic mass608.480469 Da
  • ChemSpider ID59796

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17β)-Estra-1(10),2,4-triene-3,17-diyl diundecanoate
(17β)-Estra-1,3,5(10)-trien-3,17-diyl-diundecanoat [German] [ACD/IUPAC Name]
(17β)-Estra-1,3,5(10)-triene-3,17-diyl diundecanoate [ACD/IUPAC Name]
1263-57-6 [RN]
215-029-6 [EINECS]
Diundécanoate de (17β)-estra-1,3,5(10)-triène-3,17-diyle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-diundecanoate
undecanoic acid, (17β)-estra-1(10),2,4-triene-3,17-diyl ester
Undecanoic acid, (17β)-estra-1,3,5(10)-triene-3,17-diyl ester [ACD/Index Name]
estradiol diundecanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 663.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 319.9±29.9 °C
Index of Refraction: 1.525
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 14.66
ACD/LogD (pH 5.5): 14.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 53 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 593.0±5.0 cm3

Click to predict properties on the Chemicalize site


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