ChemSpider 2D Image | (6alpha)-17-Hydroxy-6-(~2~H_3_)methylpregn-4-ene-3,20-dione | C22H29D3O3

(6α)-17-Hydroxy-6-(2H3)methylpregn-4-ene-3,20-dione

  • Molecular FormulaC22H29D3O3
  • Average mass347.506 Da
  • Monoisotopic mass347.253967 Da
  • ChemSpider ID23976805

  • 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

(6α)-17-Hydroxy-6-(2H3)methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(6α)-17-Hydroxy-6-(2H3)methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(6α)-17-Hydroxy-6-(2H3)méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-hydroxy-6-(methyl-d3)-, (6α)- [ACD/Index Name]
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
162462-69-3 [RN]
MEDROXY PROGESTERONE-D3
medroxyprogesterone [INN] [Wiki]
MEDROXYPROGESTERONE-D3
Pregn-4-ene-3,20-dione, 17-hydroxy-6-(methyl-d3)-, (6α)-

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 488.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 86.9±6.0 kJ/mol
    Flash Point: 263.0±25.2 °C
    Index of Refraction: 1.554
    Molar Refractivity: 97.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 278.80
    ACD/KOC (pH 5.5): 1958.60
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 278.80
    ACD/KOC (pH 7.4): 1958.60
    Polar Surface Area: 54 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 45.2±5.0 dyne/cm
    Molar Volume: 302.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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