ChemSpider 2D Image | (8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(~125~I)iodo-1-hexyn-1-yl]-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one | C24H33IO2

(8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(125I)iodo-1-hexyn-1-yl]-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC24H33IO2
  • Average mass478.422 Da
  • Monoisotopic mass478.152679 Da
  • ChemSpider ID2338874

  • defined stereocentres - 5 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(125I)iod-1-hexin-1-yl]-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(125I)iodo-1-hexyn-1-yl]-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8R,9S,10R,13S,14S)-17-Hydroxy-17-[6-(125I)iodo-1-hexyn-1-yl]-13-méthyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-hydroxy-17-[6-(iodo-125I)-1-hexyn-1-yl]- [ACD/Index Name]
(17α)-17-Hydroxy-26-(iodo-125I)-19,21,27-trinorcholest-4-en-20(22)-yne-3-one
123303-98-0 [RN]
17-(6'-Iodohex-1'-ynyl)-19-nortestosterone
17-Ihnt
19,21,27-Trinorcholest-4-en-20(22)-yne-3-one, 17-hydroxy-26-(iodo-125I)-, (17α)-

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


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