ChemSpider 2D Image | (16alpha)-21-{4-[2,6-Di(1-pyrrolidinyl)(~14~N_2_)-4-pyrimidinyl]-1-piperazinyl}-16-(~14~C)methylpregna-1,4,9(11)-triene-3,20-dione | C3714CH52N414N2O2

(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)(14N2)-4-pyrimidinyl]-1-piperazinyl}-16-(14C)methylpregna-1,4,9(11)-triene-3,20-dione

  • Molecular FormulaC3714CH52N414N2O2
  • Average mass626.844 Da
  • Monoisotopic mass626.418396 Da
  • ChemSpider ID8614382

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)(14N2)-4-pyrimidinyl]-1-piperazinyl}-16-(14C)methylpregna-1,4,9(11)-trien-3,20-dion [German] [ACD/IUPAC Name]
(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)(14N2)-4-pyrimidinyl]-1-piperazinyl}-16-(14C)methylpregna-1,4,9(11)-triene-3,20-dione [ACD/IUPAC Name]
(16α)-21-{4-[2,6-Di(1-pyrrolidinyl)(14N2)-4-pyrimidinyl]-1-pipérazinyl}-16-(14C)méthylprégna-1,4,9(11)-triène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl-1,3-14N2)-1-piperazinyl]-16-(methyl-14C)-, (16α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 180.4±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: 71.5±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 496.7±5.0 cm3

Click to predict properties on the Chemicalize site


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