ChemSpider 2D Image | MFCD01317491 | C21H21D9O2

MFCD01317491

  • Molecular FormulaC21H21D9O2
  • Average mass323.517 Da
  • Monoisotopic mass323.281067 Da
  • ChemSpider ID23630311

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2,2,4,6,6,17,21,21,21-2H9)Pregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(2,2,4,6,6,17,21,21,21-2H9)Pregn-4-ene-3,20-dione [ACD/IUPAC Name]
(2,2,4,6,6,17,21,21,21-2H9)Prégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
15775-74-3 [RN]
200-835-2 [EINECS]
MFCD01317491
Pregn-4-ene-3,20-dione-2,2,4,6,6,17,21,21,21-d9 [ACD/Index Name]
PROGESTERONE-D9
(8S,9S,10R,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
pregn-4-ene-3,20-dione-2,2,4,6,6,17,21,21,21-d9
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 447.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 166.7±25.7 °C
    Index of Refraction: 1.542
    Molar Refractivity: 91.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 398.57
    ACD/KOC (pH 5.5): 2529.54
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 398.57
    ACD/KOC (pH 7.4): 2529.54
    Polar Surface Area: 34 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 41.2±5.0 dyne/cm
    Molar Volume: 289.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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