ChemSpider 2D Image | Pregnenolone-d4 | C21H28D4O2

Pregnenolone-d4

  • Molecular FormulaC21H28D4O2
  • Average mass320.502 Da
  • Monoisotopic mass320.265350 Da
  • ChemSpider ID48063914

  • 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

(3β)-3-Hydroxy(17,21,21,21-2H4)pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy(17,21,21,21-2H4)pregn-5-en-20-one [ACD/IUPAC Name]
(3β)-3-Hydroxy(17,21,21,21-2H4)prégn-5-én-20-one [French] [ACD/IUPAC Name]
61574-54-7 [RN]
Pregn-5-en-20-one-17,21,21,21-d4, 3-hydroxy-, (3β)- [ACD/Index Name]
Pregnenolone-d4
2,2,2-trideuterio-1-[(3S,8S,9S,10R,13S,14S,17S)-17-deuterio-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Pregnenolone-17α,21,21,21-d4

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 443.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.9±6.0 kJ/mol
    Flash Point: 188.9±21.3 °C
    Index of Refraction: 1.550
    Molar Refractivity: 92.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.52
    ACD/LogD (pH 5.5): 4.29
    ACD/BCF (pH 5.5): 1076.52
    ACD/KOC (pH 5.5): 5151.34
    ACD/LogD (pH 7.4): 4.29
    ACD/BCF (pH 7.4): 1076.52
    ACD/KOC (pH 7.4): 5151.34
    Polar Surface Area: 37 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 42.8±5.0 dyne/cm
    Molar Volume: 290.0±5.0 cm3

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