ChemSpider 2D Image | (13xi,16alpha,17beta)-Estra-1(10),2,4-triene-3,16,17-triyl tripropanoate | C27H36O6

(13ξ,16α,17β)-Estra-1(10),2,4-triene-3,16,17-triyl tripropanoate

  • Molecular FormulaC27H36O6
  • Average mass456.571 Da
  • Monoisotopic mass456.251190 Da
  • ChemSpider ID58816813

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(13ξ,16α,17β)-Estra-1(10),2,4-trien-3,16,17-triyl-tripropanoat [German] [ACD/IUPAC Name]
(13ξ,16α,17β)-Estra-1(10),2,4-triene-3,16,17-triyl tripropanoate [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,16,17-triol, tripropanoate, (13ξ,16α,17β)- [ACD/Index Name]
Tripropanoate de (13ξ,16α,17β)-estra-1(10),2,4-triène-3,16,17-triyle [French] [ACD/IUPAC Name]
2236-31-9 [RN]
estra-1,3,5(10)-triene-3,16α,17β-triol tripropionate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 230.5±30.2 °C
Index of Refraction: 1.549
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10753.83
ACD/KOC (pH 5.5): 26753.62
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10753.83
ACD/KOC (pH 7.4): 26753.62
Polar Surface Area: 79 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 387.5±5.0 cm3

Click to predict properties on the Chemicalize site


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