ChemSpider 2D Image | [(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate | C27H40O4

[(8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID24539979

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

630-56-8 [RN]
hydroxyprogesterone caproate [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.4±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: 227.6±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13738.17
ACD/KOC (pH 5.5): 31879.95
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13738.17
ACD/KOC (pH 7.4): 31879.95
Polar Surface Area: 60 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 388.6±5.0 cm3

Click to predict properties on the Chemicalize site


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