ChemSpider 2D Image | (9beta,13alpha,14beta,17alpha)-(2,2,4,6,6,17,21,21,21-~2~H_9_)Pregn-4-ene-3,20-dione | C21H21D9O2

(9β,13α,14β,17α)-(2,2,4,6,6,17,21,21,21-2H9)Pregn-4-ene-3,20-dione

  • Molecular FormulaC21H21D9O2
  • Average mass323.517 Da
  • Monoisotopic mass323.281067 Da
  • ChemSpider ID27472383
  • 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

(9β,13α,14β,17α)-(2,2,4,6,6,17,21,21,21-2H9)Pregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(9β,13α,14β,17α)-(2,2,4,6,6,17,21,21,21-2H9)Pregn-4-ene-3,20-dione [ACD/IUPAC Name]
(9β,13α,14β,17α)-(2,2,4,6,6,17,21,21,21-2H9)Prégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione-2,2,4,6,6,17,21,21,21-d9, (9β,13α,14β,17α)- [ACD/Index Name]
15775-74-3 [RN]
Progesterone-2,2,4,6,6,17α,21,21,21-d9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 447.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 166.7±25.7 °C
Index of Refraction: 1.542
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.57
ACD/KOC (pH 5.5): 2529.54
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.57
ACD/KOC (pH 7.4): 2529.54
Polar Surface Area: 34 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 289.0±5.0 cm3

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