ChemSpider 2D Image | (9R,10S,13S,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane] | C25H36O4

(9R,10S,13S,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID48060386

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9R,10S,13S,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane] [ACD/IUPAC Name]
5488-51-7 [RN]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane], 1,2,4,9,10,11,12,13,14,15,16,17-dodecahydro-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (9R,10S,13S,14R,17S)- [ACD/Index Name]
(9R,10S,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
Dydrogesterone bis(Ethylene Acetal)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 124.2±36.9 °C
Index of Refraction: 1.572
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2222.50
ACD/KOC (pH 5.5): 8654.99
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2222.50
ACD/KOC (pH 7.4): 8654.99
Polar Surface Area: 37 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 339.9±5.0 cm3

Click to predict properties on the Chemicalize site


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