ChemSpider 2D Image | (10R,13S)-13-Methyl-10-[2-(2-propyn-1-ylsulfanyl)ethyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione | C23H28O2S

(10R,13S)-13-Methyl-10-[2-(2-propyn-1-ylsulfanyl)ethyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione

  • Molecular FormulaC23H28O2S
  • Average mass368.532 Da
  • Monoisotopic mass368.181000 Da
  • ChemSpider ID23234923

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(10R,13S)-13-Methyl-10-[2-(2-propin-1-ylsulfanyl)ethyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3,17(2H,6H)-dion [German] [ACD/IUPAC Name]
(10R,13S)-13-Methyl-10-[2-(2-propyn-1-ylsulfanyl)ethyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione [ACD/IUPAC Name]
(10R,13S)-13-Méthyl-10-[2-(2-propyn-1-ylsulfanyl)éthyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phénanthrène-3,17(2H,6H)-dione [French] [ACD/IUPAC Name]
(10R,13S)-13-methyl-10-[2-(prop-2-yn-1-ylsulfanyl)ethyl]-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione (non-preferred name)
(10R,13S)-13-Methyl-10-(2-prop-2-ynylsulfanyl-ethyl)-1,6,7,8,10,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL424162/
RU54115 Analog 22

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 223.3±20.2 °C
Index of Refraction: 1.593
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.91
ACD/KOC (pH 5.5): 1727.34
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.91
ACD/KOC (pH 7.4): 1727.34
Polar Surface Area: 59 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

Click to predict properties on the Chemicalize site


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