ChemSpider 2D Image | 1-{4-[(2beta,3alpha,5alpha,17beta)-3,17-Dihydroxyandrostan-2-yl]-1-piperazinyl}-1-pentanone | C28H48N2O3

1-{4-[(2β,3α,5α,17β)-3,17-Dihydroxyandrostan-2-yl]-1-piperazinyl}-1-pentanone

  • Molecular FormulaC28H48N2O3
  • Average mass460.692 Da
  • Monoisotopic mass460.366486 Da
  • ChemSpider ID24707091

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-{4-[(2β,3α,5α,17β)-3,17-Dihydroxyandrostan-2-yl]-1-piperazinyl}-1-pentanon [German] [ACD/IUPAC Name]
1-{4-[(2β,3α,5α,17β)-3,17-Dihydroxyandrostan-2-yl]-1-piperazinyl}-1-pentanone [ACD/IUPAC Name]
1-{4-[(2β,3α,5α,17β)-3,17-Dihydroxyandrostan-2-yl]-1-pipérazinyl}-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-[4-[(2β,3α,5α,17β)-3,17-dihydroxyandrostan-2-yl]-1-piperazinyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494379/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 113.58
ACD/KOC (pH 5.5): 744.24
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 346.90
ACD/KOC (pH 7.4): 2273.00
Polar Surface Area: 64 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 411.1±3.0 cm3

Click to predict properties on the Chemicalize site


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