ChemSpider 2D Image | (17xi,20R)-14,21-Cyclo-19-norpregna-1(10),2,4-triene-3,17,20-triol | C20H26O3

(17ξ,20R)-14,21-Cyclo-19-norpregna-1(10),2,4-triene-3,17,20-triol

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID57260190

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(17ξ,20R)-14,21-Cyclo-19-norpregna-1(10),2,4-trien-3,17,20-triol [German] [ACD/IUPAC Name]
(17ξ,20R)-14,21-Cyclo-19-norpregna-1(10),2,4-triene-3,17,20-triol [ACD/IUPAC Name]
(17ξ,20R)-14,21-Cyclo-19-norprégna-1(10),2,4-triène-3,17,20-triol [French] [ACD/IUPAC Name]
14,17-Ethano-14H-cyclopenta[a]phenanthrene-3,16,17(6H)-triol, 7,8,9,11,12,13,15,16-octahydro-13-methyl-, (8R,9S,13S,14R,16R)- [ACD/Index Name]
135768-83-1 [RN]
Cyclotriol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 231.0±23.3 °C
Index of Refraction: 1.659
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.67
ACD/KOC (pH 5.5): 1672.84
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 223.37
ACD/KOC (pH 7.4): 1670.62
Polar Surface Area: 61 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 238.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement