ChemSpider 2D Image | (17beta)-Estra-1(10),2,4-triene-3,17-diyl di(~2~H_13_)heptanoate | C32H22D26O4

(17β)-Estra-1(10),2,4-triene-3,17-diyl di(2H13)heptanoate

  • Molecular FormulaC32H22D26O4
  • Average mass522.881 Da
  • Monoisotopic mass522.518433 Da
  • ChemSpider ID115009790
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(17β)-Estra-1(10),2,4-trien-3,17-diyl-di(2H13)heptanoat [German] [ACD/IUPAC Name]
(17β)-Estra-1(10),2,4-triene-3,17-diyl di(2H13)heptanoate [ACD/IUPAC Name]
Di(2H13)heptanoate de (17β)-estra-1(10),2,4-triène-3,17-diyle [French] [ACD/IUPAC Name]
Heptanoic-d13 acid, (17β)-estra-1(10),2,4-triene-3,17-diyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 280.9±28.5 °C
Index of Refraction: 1.535
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 10.41
ACD/LogD (pH 5.5): 9.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3628058.25
ACD/LogD (pH 7.4): 9.53
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3628058.25
Polar Surface Area: 53 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 464.6±5.0 cm3

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