ChemSpider 2D Image | (8alpha,9beta,10alpha,14beta,17alpha,20S)-17,20-Dihydroxypregn-4-en-3-one | C21H32O3

(8α,9β,10α,14β,17α,20S)-17,20-Dihydroxypregn-4-en-3-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID62377959
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(8α,9β,10α,14β,17α,20S)-17,20-Dihydroxypregn-4-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,10α,14β,17α,20S)-17,20-Dihydroxypregn-4-en-3-one [ACD/IUPAC Name]
(8α,9β,10α,14β,17α,20S)-17,20-Dihydroxyprégn-4-én-3-one [French] [ACD/IUPAC Name]
Pregn-4-en-3-one, 17,20-dihydroxy-, (8α,9β,10α,14β,17α,20S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 262.5±25.2 °C
Index of Refraction: 1.568
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.67
ACD/KOC (pH 5.5): 841.61
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.67
ACD/KOC (pH 7.4): 841.61
Polar Surface Area: 58 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

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