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Search term: GKQWMOXIBZCMDJ-PWZOGDDVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6alpha,8xi)-6-Methyl-17-(2-oxopropyl)pregn-4-ene-3,20-dione | C25H36O3

(6α,8ξ)-6-Methyl-17-(2-oxopropyl)pregn-4-ene-3,20-dione

  • Molecular FormulaC25H36O3
  • Average mass384.552 Da
  • Monoisotopic mass384.266449 Da
  • ChemSpider ID23156459

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6α,8ξ)-6-Methyl-17-(2-oxopropyl)pregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(6α,8ξ)-6-Methyl-17-(2-oxopropyl)pregn-4-ene-3,20-dione [ACD/IUPAC Name]
(6α,8ξ)-6-Méthyl-17-(2-oxopropyl)prégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 6-methyl-17-(2-oxopropyl)-, (6α,8ξ)- [ACD/Index Name]
(6S,8S,10R,14S,15S)-17-Acetyl-6,10-dimethyl-13-(R)-methyl-17-(2-oxo-propyl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
CHEMBL292284
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292284/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 216.8±25.3 °C
Index of Refraction: 1.537
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 666.80
ACD/KOC (pH 5.5): 3656.11
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.80
ACD/KOC (pH 7.4): 3656.11
Polar Surface Area: 51 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 350.9±5.0 cm3

Click to predict properties on the Chemicalize site


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