ChemSpider 2D Image | (3beta,16alpha)-16-[(Dimethylamino)methyl]-3-hydroxyandrost-5-en-17-one | C22H35NO2

(3β,16α)-16-[(Dimethylamino)methyl]-3-hydroxyandrost-5-en-17-one

  • Molecular FormulaC22H35NO2
  • Average mass345.519 Da
  • Monoisotopic mass345.266785 Da
  • ChemSpider ID30209276
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β,16α)-16-[(Dimethylamino)methyl]-3-hydroxyandrost-5-en-17-on [German] [ACD/IUPAC Name]
(3β,16α)-16-[(Dimethylamino)methyl]-3-hydroxyandrost-5-en-17-one [ACD/IUPAC Name]
(3β,16α)-16-[(Diméthylamino)méthyl]-3-hydroxyandrost-5-én-17-one [French] [ACD/IUPAC Name]
Androst-5-en-17-one, 16-[(dimethylamino)methyl]-3-hydroxy-, (3β,16α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 236.9±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 8.65
ACD/KOC (pH 7.4): 63.69
Polar Surface Area: 41 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 312.6±5.0 cm3

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