ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-2,16-Di(1-piperidinyl)androstane-3,17-diyl bis(2,2-dimethylpropanoate) | C39H66N2O4

(2β,3α,5α,16β,17β)-2,16-Di(1-piperidinyl)androstane-3,17-diyl bis(2,2-dimethylpropanoate)

  • Molecular FormulaC39H66N2O4
  • Average mass626.952 Da
  • Monoisotopic mass626.502258 Da
  • ChemSpider ID111284

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3α,5α,16β,17β)-2,16-Di(1-piperidinyl)androstan-3,17-diyl-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-2,16-Di(1-piperidinyl)androstane-3,17-diyl bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
Bis(2,2-diméthylpropanoate) de (2β,3α,5α,16β,17β)-2,16-di(1-pipéridinyl)androstane-3,17-diyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (2β,3α,5α,16β,17β)-2,16-di-1-piperidinylandrostane-3,17-diyl ester [ACD/Index Name]
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-Dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl bis(2,2-dimethylpropanoate)
2,16-DIPIPERIDIN-1-YLANDROSTANE-3,17-DIOL DIPIVALATE
63665-41-8 [RN]
Androstane-3,17-diol, 2,16-di-1-piperidinyl-, bis(2,2-dimethylpropanoate) (ester), (2β,3α,5α,16β,17β)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.9±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 181.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 110.94
ACD/KOC (pH 5.5): 69.56
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 3713.25
ACD/KOC (pH 7.4): 2328.42
Polar Surface Area: 59 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 575.8±5.0 cm3

Click to predict properties on the Chemicalize site


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