ChemSpider 2D Image | (9xi,13xi)-9,17-Dihydroxypregn-4-en-20-yn-3-one | C21H28O3

(9ξ,13ξ)-9,17-Dihydroxypregn-4-en-20-yn-3-one

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID58816482

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(9ξ,13ξ)-9,17-Dihydroxypregn-4-en-20-in-3-on [German] [ACD/IUPAC Name]
(9ξ,13ξ)-9,17-Dihydroxypregn-4-en-20-yn-3-one [ACD/IUPAC Name]
(9ξ,13ξ)-9,17-Dihydroxyprégn-4-én-20-yn-3-one [French] [ACD/IUPAC Name]
Pregn-4-en-20-yn-3-one, 9,17-dihydroxy-, (9ξ,13ξ)- [ACD/Index Name]
116299-92-4 [RN]
9,17-dihydroxy-17-ethynylandrost-4-en-3-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 259.8±25.2 °C
Index of Refraction: 1.592
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.26
ACD/KOC (pH 5.5): 614.93
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.26
ACD/KOC (pH 7.4): 614.93
Polar Surface Area: 58 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 271.3±5.0 cm3

Click to predict properties on the Chemicalize site


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