ChemSpider 2D Image | (3beta,8xi,9xi,14xi,17alpha)-17-Hydroxy-19-norpregn-4-en-20-yn-3-yl (17beta)-3-oxoandrost-4-en-17-yl succinate | C43H58O6

(3β,8ξ,9ξ,14ξ,17α)-17-Hydroxy-19-norpregn-4-en-20-yn-3-yl (17β)-3-oxoandrost-4-en-17-yl succinate

  • Molecular FormulaC43H58O6
  • Average mass670.917 Da
  • Monoisotopic mass670.423340 Da
  • ChemSpider ID143035
  • defined stereocentres - 10 of 13 defined stereocentres


More details:






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

(3β,8ξ,9ξ,14ξ,17α)-17-Hydroxy-19-norpregn-4-en-20-in-3-yl-(17β)-3-oxoandrost-4-en-17-yl-succinat [German] [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,17α)-17-Hydroxy-19-norpregn-4-en-20-yn-3-yl (17β)-3-oxoandrost-4-en-17-yl succinate [ACD/IUPAC Name]
Butanedioic acid, (3β,8ξ,9ξ,14ξ,17β)-17-ethynyl-17-hydroxyestr-4-en-3-yl (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]
Succinate de (3β,8ξ,9ξ,14ξ,17α)-17-hydroxy-19-norprégn-4-én-20-yn-3-yle et de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
61083-04-3 [RN]
Androst-4-en-3-one, 17-(4-(((3β,17α)-17-hydroxy-19-norpregn-4-en-20-yn-3-yl)oxy)-1,4-dioxobutoxy)-, (17β)-
Androst-4-en-3-one, 17-(4-(((3-β,17-α)-17-hydroxy-19-norpregn-4-en-20-yn-3-yl)oxy)-1,4-dioxobutoxy)-, (17-β)-
Ethynodiol testosterone ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 220.8±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 187.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.05
ACD/LogD (pH 5.5): 8.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 717571.19
ACD/LogD (pH 7.4): 8.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 717569.63
Polar Surface Area: 90 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 555.6±5.0 cm3

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