ChemSpider 2D Image | (9xi,14beta,17alpha,20R)-20-Hydroxy(2,2,4,6-~2~H_4_)pregn-4-en-3-one | C21H28D4O2

(9ξ,14β,17α,20R)-20-Hydroxy(2,2,4,6-2H4)pregn-4-en-3-one

  • Molecular FormulaC21H28D4O2
  • Average mass320.502 Da
  • Monoisotopic mass320.265350 Da
  • ChemSpider ID82827111

  • 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

(9ξ,14β,17α,20R)-20-Hydroxy(2,2,4,6-2H4)pregn-4-en-3-on [German] [ACD/IUPAC Name]
(9ξ,14β,17α,20R)-20-Hydroxy(2,2,4,6-2H4)pregn-4-en-3-one [ACD/IUPAC Name]
(9ξ,14β,17α,20R)-20-Hydroxy(2,2,4,6-2H4)prégn-4-én-3-one [French] [ACD/IUPAC Name]
Pregn-4-en-3-one-2,2,4,6-d4, 20-hydroxy-, (9ξ,14β,17α,20R)- [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: 451.7±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 192.4±12.7 °C
Index of Refraction: 1.550
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 399.33
ACD/KOC (pH 5.5): 2533.01
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 399.33
ACD/KOC (pH 7.4): 2533.01
Polar Surface Area: 37 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 290.0±5.0 cm3

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