ChemSpider 2D Image | (16alpha)-16-Ethyl-3,20-dioxo-19-norpregn-4-en-21-yl laurate | C34H54O4

(16α)-16-Ethyl-3,20-dioxo-19-norpregn-4-en-21-yl laurate

  • Molecular FormulaC34H54O4
  • Average mass526.790 Da
  • Monoisotopic mass526.402222 Da
  • ChemSpider ID114195
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(16α)-16-Ethyl-3,20-dioxo-19-norpregn-4-en-21-yl laurate [ACD/IUPAC Name]
(16α)-16-Ethyl-3,20-dioxo-19-norpregn-4-en-21-yllaurat [German] [ACD/IUPAC Name]
266-701-0 [EINECS]
67490-00-0 [RN]
Dodecanoic acid, 2-[(16α,17β)-16-ethyl-3-oxoestr-4-en-17-yl]-2-oxoethyl ester [ACD/Index Name]
Laurate de (16α)-16-éthyl-3,20-dioxo-19-norprégn-4-én-21-yle [French] [ACD/IUPAC Name]
16-α-Ethyl-21-((1-oxododecyl)oxy)-19-norpregn-4-ene-3,20-dione
16-α-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-dodecanoate
16α-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione 21-laurate
19-Norpregn-4-ene-3,20-dione, 16-ethyl-21-((1-oxododecyl)oxy)-, (16-α)-

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

ORG 2154 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 258.5±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 9.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5421023.00
ACD/LogD (pH 7.4): 9.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5421023.00
Polar Surface Area: 60 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 502.3±5.0 cm3

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