ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17beta)-17-{[(2-Hydroxyethyl)amino]methyl}androstan-17-ol | C22H39NO2

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17β)-17-{[(2-Hydroxyethyl)amino]methyl}androstan-17-ol

  • Molecular FormulaC22H39NO2
  • Average mass349.551 Da
  • Monoisotopic mass349.298065 Da
  • ChemSpider ID22930643

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17β)-17-{[(2-Hydroxyethyl)amino]methyl}androstan-17-ol [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17β)-17-{[(2-Hydroxyethyl)amino]methyl}androstan-17-ol [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17β)-17-{[(2-Hydroxyéthyl)amino]méthyl}androstan-17-ol [French] [ACD/IUPAC Name]
Androstan-17-ol, 17-[[(2-hydroxyethyl)amino]methyl]-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 488.8±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 84.4±11.0 °C
Index of Refraction: 1.533
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 19.49
ACD/KOC (pH 7.4): 87.72
Polar Surface Area: 52 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 330.0±3.0 cm3

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