ChemSpider 2D Image | (2R)-2-[(8R,9R,10S,13R,14R,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (non-preferred name) | C22H32O2

(2R)-2-[(8R,9R,10S,13R,14R,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (non-preferred name)

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID111312117

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R)-2-[(8R,9R,10S,13R,14R,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (non-preferred name) [German] [ACD/IUPAC Name]
(2R)-2-[(8R,9R,10S,13R,14R,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanal (non-preferred name) [ACD/IUPAC Name]
(2R)-2-[(8R,9R,10S,13R,14R,17S)-10,13-Diméthyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propanal (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 459.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 171.0±17.1 °C
Index of Refraction: 1.539
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1175.79
ACD/KOC (pH 5.5): 5487.08
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1175.79
ACD/KOC (pH 7.4): 5487.08
Polar Surface Area: 34 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 305.9±5.0 cm3

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