ChemSpider 2D Image | 14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol | C20H26O2

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID18788501

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Cyclodiol
(1S,2R,11S,14S,15R)-14-Methylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5,7,9-triene-7,15-diol
14,17-Ethano-14H-cyclopenta[a]phenanthrene-3,17(6H)-diol, 7,8,9,11,12,13,15,16-octahydro-13-methyl-, (8R,9S,13S)- [ACD/Index Name]
14,21-Cyclo-19-norpregna-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
14,21-Cyclo-19-norprégna-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 220.5±23.3 °C
Index of Refraction: 1.638
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1478.86
ACD/KOC (pH 5.5): 6465.91
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1476.96
ACD/KOC (pH 7.4): 6457.61
Polar Surface Area: 40 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 240.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement