Found 31 results

Search term: JERGUCIJOXJXHF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta)-3,17-Dihydroxy(2,2,4,4,21,21,21-~2~H_7_)pregn-5-en-20-one | C21H25D7O3

(3β)-3,17-Dihydroxy(2,2,4,4,21,21,21-2H7)pregn-5-en-20-one

  • Molecular FormulaC21H25D7O3
  • Average mass339.520 Da
  • Monoisotopic mass339.279083 Da
  • ChemSpider ID8720460

  • 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)-3,17-Dihydroxy(2,2,4,4,21,21,21-2H7)pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β)-3,17-Dihydroxy(2,2,4,4,21,21,21-2H7)pregn-5-en-20-one [ACD/IUPAC Name]
(3β)-3,17-Dihydroxy(2,2,4,4,21,21,21-2H7)prégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one-2,2,4,4,21,21,21-d7, 3,17-dihydroxy-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.6±6.0 kJ/mol
Flash Point: 257.2±25.2 °C
Index of Refraction: 1.568
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.93
ACD/KOC (pH 5.5): 2242.95
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.93
ACD/KOC (pH 7.4): 2242.95
Polar Surface Area: 58 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


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