ChemSpider 2D Image | (5R,8R,9S,10R,13R,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11(2H)-one | C25H38O5

(5R,8R,9S,10R,13R,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11(2H)-one

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID62444673

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R,8R,9S,10R,13R,14R,17S)-10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11(2H)-one [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11(2H)-one, tetradecahydro-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (5R,8R,9S,10R,13R,14R,17S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 222.7±30.2 °C
Index of Refraction: 1.553
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.27
ACD/KOC (pH 5.5): 1228.25
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.27
ACD/KOC (pH 7.4): 1228.25
Polar Surface Area: 54 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 351.6±5.0 cm3

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