ChemSpider 2D Image | (2alpha,3alpha,5alpha,9beta,10alpha,13alpha,14xi)-2,3,14-Trihydroxyandrost-7-ene-6,17-dione | C19H26O5

(2α,3α,5α,9β,10α,13α,14ξ)-2,3,14-Trihydroxyandrost-7-ene-6,17-dione

  • Molecular FormulaC19H26O5
  • Average mass334.407 Da
  • Monoisotopic mass334.178009 Da
  • ChemSpider ID82827244

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2α,3α,5α,9β,10α,13α,14ξ)-2,3,14-Trihydroxyandrost-7-en-6,17-dion [German] [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14ξ)-2,3,14-Trihydroxyandrost-7-ene-6,17-dione [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14ξ)-2,3,14-Trihydroxyandrost-7-ène-6,17-dione [French] [ACD/IUPAC Name]
Androst-7-ene-6,17-dione, 2,3,14-trihydroxy-, (2α,3α,5α,9β,10α,13α,14ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 294.8±26.6 °C
Index of Refraction: 1.610
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.08
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.08
Polar Surface Area: 95 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

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