ChemSpider 2D Image | (3beta,13xi,17beta)-17-Methylandrost-5-ene-3,17-diyl dipropanoate | C26H40O4

(3β,13ξ,17β)-17-Methylandrost-5-ene-3,17-diyl dipropanoate

  • Molecular FormulaC26H40O4
  • Average mass416.593 Da
  • Monoisotopic mass416.292664 Da
  • ChemSpider ID58817098
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(3β,13ξ,17β)-17-Methylandrost-5-en-3,17-diyl-dipropanoat [German] [ACD/IUPAC Name]
(3β,13ξ,17β)-17-Methylandrost-5-ene-3,17-diyl dipropanoate [ACD/IUPAC Name]
Androst-5-ene-3,17-diol, 17-methyl-, dipropanoate, (3β,13ξ,17β)- [ACD/Index Name]
Dipropanoate de (3β,13ξ,17β)-17-méthylandrost-5-ène-3,17-diyle [French] [ACD/IUPAC Name]
3593-85-9 [RN]
Methandriol dipropionate [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 479.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 228.0±27.1 °C
Index of Refraction: 1.527
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74162.51
ACD/KOC (pH 5.5): 106575.77
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74162.51
ACD/KOC (pH 7.4): 106575.77
Polar Surface Area: 53 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

Click to predict properties on the Chemicalize site






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