ChemSpider 2D Image | (7alpha,8xi,9xi,10xi,13xi,14xi,17alpha,20E)-17-Hydroxy-21-iodo-7-methyl-19-norpregna-4,20-dien-3-one | C21H29IO2

(7α,8ξ,9ξ,10ξ,13ξ,14ξ,17α,20E)-17-Hydroxy-21-iodo-7-methyl-19-norpregna-4,20-dien-3-one

  • Molecular FormulaC21H29IO2
  • Average mass440.358 Da
  • Monoisotopic mass440.121216 Da
  • ChemSpider ID23119099

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(7α,8ξ,9ξ,10ξ,13ξ,14ξ,17α,20E)-17-Hydroxy-21-iod-7-methyl-19-norpregna-4,20-dien-3-on [German] [ACD/IUPAC Name]
(7α,8ξ,9ξ,10ξ,13ξ,14ξ,17α,20E)-17-Hydroxy-21-iodo-7-methyl-19-norpregna-4,20-dien-3-one [ACD/IUPAC Name]
(7α,8ξ,9ξ,10ξ,13ξ,14ξ,17α,20E)-17-Hydroxy-21-iodo-7-méthyl-19-norprégna-4,20-dién-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-hydroxy-17-[(E)-2-iodoethenyl]-7-methyl-, (7α,17β)- [ACD/Index Name]
(7R,17R)-17-Hydroxy-17-((E)-2-iodo-vinyl)-7,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
(7α,17β)-17-hydroxy-17-[(E)-2-iodoethenyl]-7-methylestr-4-en-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 512.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 263.9±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2042.18
ACD/KOC (pH 5.5): 8146.32
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2042.18
ACD/KOC (pH 7.4): 8146.31
Polar Surface Area: 37 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 303.2±5.0 cm3

Click to predict properties on the Chemicalize site


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