ChemSpider 2D Image | (2alpha,5alpha,8alpha,9beta,17beta)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]androstan-3-one | C21H31F3O3

(2α,5α,8α,9β,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]androstan-3-one

  • Molecular FormulaC21H31F3O3
  • Average mass388.464 Da
  • Monoisotopic mass388.222534 Da
  • ChemSpider ID62626107
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(2α,5α,8α,9β,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluor-1-hydroxyethyl]androstan-3-on [German] [ACD/IUPAC Name]
(2α,5α,8α,9β,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]androstan-3-one [ACD/IUPAC Name]
(2α,5α,8α,9β,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyéthyl]androstan-3-one [French] [ACD/IUPAC Name]
(2α,5α,9β,10α,13α,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluor-1-hydroxyethyl]androstan-3-on [German] [ACD/IUPAC Name]
(2α,5α,9β,10α,13α,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]androstan-3-one [ACD/IUPAC Name]
(2α,5α,9β,10α,13α,17β)-17-Hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyéthyl]androstan-3-one [French] [ACD/IUPAC Name]
Androstan-3-one, 17-hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-, (2α,5α,8α,9β,17β)- [ACD/Index Name]
Androstan-3-one, 17-hydroxy-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-, (2α,5α,9β,10α,13α,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 484.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.509
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.35
ACD/KOC (pH 5.5): 2031.22
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.33
ACD/KOC (pH 7.4): 2031.11
Polar Surface Area: 58 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

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