ChemSpider 2D Image | (17alpha)-17-Hydroxy-3-oxo(21-~13~C,16,16,20,20-~2~H_4_)-19-norpregna-4,9-diene-21-(~15~N)nitrile | C1913CH21D415NO2

(17α)-17-Hydroxy-3-oxo(21-13C,16,16,20,20-2H4)-19-norpregna-4,9-diene-21-(15N)nitrile

  • Molecular FormulaC1913CH21D415NO2
  • Average mass317.429 Da
  • Monoisotopic mass317.214020 Da
  • ChemSpider ID58793425

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17α)-17-Hydroxy-3-oxo(21-13C,16,16,20,20-2H4)-19-norpregna-4,9-dien-21-(15N)nitril [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-3-oxo(21-13C,16,16,20,20-2H4)-19-norpregna-4,9-diene-21-(15N)nitrile [ACD/IUPAC Name]
(17α)-17-Hydroxy-3-oxo(21-13C,16,16,20,20-2H4)-19-norprégna-4,9-diène-21-(15N)nitrile [French] [ACD/IUPAC Name]
Acetonitrile-1-13C-2,2-d2-15N, 2-[(17β)-17-hydroxy-3-oxoestra-4,9-dien-17-yl-16,16-d2]- [ACD/Index Name]
65928-58-7 [RN]
Dienogest [BAN] [INN] [JAN] [USAN] [Wiki]
dienogest labeled d4,13c,15n
dienogestrel

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 87.2±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: 34.6±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 258.6±5.0 cm3

Click to predict properties on the Chemicalize site


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