ChemSpider 2D Image | (5alpha,17alpha)-17-Hydroxypregn-20-yn-3-one | C21H30O2

(5α,17α)-17-Hydroxypregn-20-yn-3-one

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID23317316
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(5α,17α)-17-Hydroxypregn-20-in-3-on [German] [ACD/IUPAC Name]
(5α,17α)-17-Hydroxypregn-20-yn-3-one [ACD/IUPAC Name]
(5α,17α)-17-Hydroxyprégn-20-yn-3-one [French] [ACD/IUPAC Name]
Pregn-20-yn-3-one, 17-hydroxy-, (5α,17α)- [ACD/Index Name]
(5S,8R,9S,10S,13S,14S,17R)-17-Ethynyl-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
10.1021/jm7011485
13611-97-7 [RN]
17-ethinyl-dihydrotestosterone
17α-ETHYNYLDIHYDROTESTOSTERONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±6.0 kJ/mol
Flash Point: 182.6±21.3 °C
Index of Refraction: 1.556
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 568.16
ACD/KOC (pH 5.5): 3260.28
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 568.16
ACD/KOC (pH 7.4): 3260.28
Polar Surface Area: 37 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 281.5±5.0 cm3

Click to predict properties on the Chemicalize site





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