ChemSpider 2D Image | U5M72D8OWZ | C19H28O2

U5M72D8OWZ

  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID48063738
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β,5α)-3-Hydroxyandrost-1-en-17-on [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxyandrost-1-en-17-one [ACD/IUPAC Name]
(3β,5α)-3-Hydroxyandrost-1-én-17-one [French] [ACD/IUPAC Name]
1-ANDROSTERONE
23633-63-8 [RN]
Androst-1-en-17-one, 3-hydroxy-, (3β,5α)- [ACD/Index Name]
U5M72D8OWZ
(3R,5S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
UNII:U5M72D8OWZ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 177.6±21.3 °C
Index of Refraction: 1.550
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.76
ACD/KOC (pH 5.5): 1721.25
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.76
ACD/KOC (pH 7.4): 1721.25
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 260.9±3.0 cm3

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