ChemSpider 2D Image | (2alpha,5alpha)-2-(1H-Pyrazol-1-yl)androstane-3,17-dione | C22H30N2O2

(2α,5α)-2-(1H-Pyrazol-1-yl)androstane-3,17-dione

  • Molecular FormulaC22H30N2O2
  • Average mass354.486 Da
  • Monoisotopic mass354.230713 Da
  • ChemSpider ID24807376

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2α,5α)-2-(1H-Pyrazol-1-yl)androstan-3,17-dion [German] [ACD/IUPAC Name]
(2α,5α)-2-(1H-Pyrazol-1-yl)androstane-3,17-dione [ACD/IUPAC Name]
(2α,5α)-2-(1H-Pyrazol-1-yl)androstane-3,17-dione [French] [ACD/IUPAC Name]
Androstane-3,17-dione, 2-(1H-pyrazol-1-yl)-, (2α,5α)- [ACD/Index Name]
2α-(1H-pyrazol-1-yl)-5α-androstan-3,17-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.3±30.1 °C
Index of Refraction: 1.690
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.64
ACD/KOC (pH 5.5): 1010.66
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.66
ACD/KOC (pH 7.4): 1010.89
Polar Surface Area: 52 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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