ChemSpider 2D Image | (17R)-13-Ethyl-17-ethynyl-17-hydroxy(2,2,4,6,6,10-~2~H_6_)-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one | C21H20D6O2

(17R)-13-Ethyl-17-ethynyl-17-hydroxy(2,2,4,6,6,10-2H6)-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC21H20D6O2
  • Average mass316.467 Da
  • Monoisotopic mass316.230927 Da
  • ChemSpider ID25196676

  • defined stereocentres - 1 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17R)-13-Ethyl-17-ethynyl-17-hydroxy(2,2,4,6,6,10-2H6)-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(17R)-13-Éthyl-17-éthynyl-17-hydroxy(2,2,4,6,6,10-2H6)-1,2,6,7,8,9,10,11,12,13,14,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
(17R)-17-Ethinyl-13-ethyl-17-hydroxy(2,2,4,6,6,10-2H6)-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
Gestodene-2,2,4,6,6,10-d6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 196.9±21.3 °C
Index of Refraction: 1.588
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.06
ACD/KOC (pH 5.5): 1184.32
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.06
ACD/KOC (pH 7.4): 1184.30
Polar Surface Area: 37 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 267.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement