ChemSpider 2D Image | (3beta,16R)-20-Oxo(16,17-~2~H_2_)pregn-5-en-3-yl acetate | C23H32D2O3

(3β,16R)-20-Oxo(16,17-2H2)pregn-5-en-3-yl acetate

  • Molecular FormulaC23H32D2O3
  • Average mass360.527 Da
  • Monoisotopic mass360.263336 Da
  • ChemSpider ID8559378

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,16R)-20-Oxo(16,17-2H2)pregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,16R)-20-Oxo(16,17-2H2)pregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,16R)-20-oxo(16,17-2H2)prégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one-16,17-d2, 3-(acetyloxy)-, (3β,16R)- [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: 452.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 194.2±28.8 °C
Index of Refraction: 1.534
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3409.02
ACD/KOC (pH 5.5): 11755.75
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3409.02
ACD/KOC (pH 7.4): 11755.75
Polar Surface Area: 43 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 328.0±5.0 cm3

Click to predict properties on the Chemicalize site


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