ChemSpider 2D Image | (10R,13S)-10-(2-Iodoethyl)-13-methyl-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione | C20H25IO2

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

  • Molecular FormulaC20H25IO2
  • Average mass424.316 Da
  • Monoisotopic mass424.089905 Da
  • ChemSpider ID23234944

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(10R,13S)-10-(2-Iodethyl)-13-methyl-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3,17(2H,6H)-dion [German] [ACD/IUPAC Name]
(10R,13S)-10-(2-Iodoethyl)-13-methyl-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione [ACD/IUPAC Name]
(10R,13S)-10-(2-Iodoéthyl)-13-méthyl-7,8,10,12,13,14,15,16-octahydro-1H-cyclopenta[a]phénanthrène-3,17(2H,6H)-dione [French] [ACD/IUPAC Name]
(10R,13S)-10-(2-Iodo-ethyl)-13-methyl-1,6,7,8,10,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
19-Heteromethyl-Substituted Androstenedione Analog 42

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

Density: 1.5±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.04
ACD/KOC (pH 5.5): 1658.72
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.04
ACD/KOC (pH 7.4): 1658.72
Polar Surface Area: 34 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

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