ChemSpider 2D Image | (9beta,10alpha,17xi)-(2,2,17,21,21,21-~2~H_6_)Pregna-4,6-diene-3,20-dione | C21H22D6O2

(9β,10α,17ξ)-(2,2,17,21,21,21-2H6)Pregna-4,6-diene-3,20-dione

  • Molecular FormulaC21H22D6O2
  • Average mass318.483 Da
  • Monoisotopic mass318.246582 Da
  • ChemSpider ID77498398

  • 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

(9β,10α,17ξ)-(2,2,17,21,21,21-2H6)Pregna-4,6-dien-3,20-dion [German] [ACD/IUPAC Name]
(9β,10α,17ξ)-(2,2,17,21,21,21-2H6)Pregna-4,6-diene-3,20-dione [ACD/IUPAC Name]
(9β,10α,17ξ)-(2,2,17,21,21,21-2H6)Prégna-4,6-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione-2,2,17,21,21,21-d6, (9β,10α,17ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 172.2±25.7 °C
Index of Refraction: 1.557
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.60
ACD/KOC (pH 5.5): 1491.82
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.60
ACD/KOC (pH 7.4): 1491.82
Polar Surface Area: 34 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 282.3±5.0 cm3

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