ChemSpider 2D Image | (9beta,10alpha)-20-Hydroxy(2,2,17,20,21,21,21-~2~H_7_)pregna-4,6-dien-3-one | C21H23D7O2

(9β,10α)-20-Hydroxy(2,2,17,20,21,21,21-2H7)pregna-4,6-dien-3-one

  • Molecular FormulaC21H23D7O2
  • Average mass321.505 Da
  • Monoisotopic mass321.268524 Da
  • ChemSpider ID107445829

  • defined stereocentres - 6 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(9β,10α)-20-Hydroxy(2,2,17,20,21,21,21-2H7)pregna-4,6-dien-3-on [German] [ACD/IUPAC Name]
(9β,10α)-20-Hydroxy(2,2,17,20,21,21,21-2H7)pregna-4,6-dien-3-one [ACD/IUPAC Name]
(9β,10α)-20-Hydroxy(2,2,17,20,21,21,21-2H7)prégna-4,6-dién-3-one [French] [ACD/IUPAC Name]
Pregna-4,6-dien-3-one-2,2,17,20,21,21,21-d7, 20-hydroxy-, (9β,10α)- [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: 467.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.1±6.0 kJ/mol
Flash Point: 198.7±12.7 °C
Index of Refraction: 1.565
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.21
ACD/KOC (pH 5.5): 1749.99
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.21
ACD/KOC (pH 7.4): 1749.99
Polar Surface Area: 37 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

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