ChemSpider 2D Image | (4beta,5alpha,14beta,17alpha)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile | C20H27NO3

(4β,5α,14β,17α)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile

  • Molecular FormulaC20H27NO3
  • Average mass329.433 Da
  • Monoisotopic mass329.199097 Da
  • ChemSpider ID58131812

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4β,5α,14β,17α)-3,17-Dihydroxy-4,5-epoxyandrost-2-en-2-carbonitril [German] [ACD/IUPAC Name]
(4β,5α,14β,17α)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile [ACD/IUPAC Name]
(4β,5α,14β,17α)-3,17-Dihydroxy-4,5-époxyandrost-2-ène-2-carbonitrile [French] [ACD/IUPAC Name]
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4β,5α,14β,17α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348889/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 254.8±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.33
ACD/KOC (pH 5.5): 867.05
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 83.77
ACD/KOC (pH 7.4): 813.01
Polar Surface Area: 77 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

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