ChemSpider 2D Image | (16alpha,17alpha)-16-Chloro-16-cyano-3-methoxy-14,21-cyclo-19-norpregna-1(10),2,4,20-tetraen-17-yl acetate | C24H26ClNO3

(16α,17α)-16-Chloro-16-cyano-3-methoxy-14,21-cyclo-19-norpregna-1(10),2,4,20-tetraen-17-yl acetate

  • Molecular FormulaC24H26ClNO3
  • Average mass411.921 Da
  • Monoisotopic mass411.160126 Da
  • ChemSpider ID30652210

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17α)-16-Chlor-16-cyan-3-methoxy-14,21-cyclo-19-norpregna-1(10),2,4,20-tetraen-17-yl-acetat [German] [ACD/IUPAC Name]
(16α,17α)-16-Chloro-16-cyano-3-methoxy-14,21-cyclo-19-norpregna-1(10),2,4,20-tetraen-17-yl acetate [ACD/IUPAC Name]
14,17-Ethano-14H-cyclopenta[a]phenanthrene-18-carbonitrile, 17-(acetyloxy)-18-chloro-6,7,8,9,11,12,13,17-octahydro-3-methoxy-13-methyl-, (8R,9S,13S,14R,17R,18S)- [ACD/Index Name]
Acétate de (16α,17α)-16-chloro-16-cyano-3-méthoxy-14,21-cyclo-19-norprégna-1(10),2,4,20-tétraén-17-yle [French] [ACD/IUPAC Name]
(1R,2R,11S,15R,19S)-19-Chloro-19-cyano-7-methoxy-14-methylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5,7,9,16-tetraen-15-yl acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2815.01
ACD/KOC (pH 5.5): 10250.22
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2815.01
ACD/KOC (pH 7.4): 10250.22
Polar Surface Area: 59 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 318.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement