ChemSpider 2D Image | (11alpha)-18,21-Dihydroxy(2,2,4,6,6,17,21,21-~2~H_8_)-11,18-epoxypregn-4-ene-3,20-dione | C21H20D8O5

(11α)-18,21-Dihydroxy(2,2,4,6,6,17,21,21-2H8)-11,18-epoxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H20D8O5
  • Average mass368.493 Da
  • Monoisotopic mass368.243896 Da
  • ChemSpider ID62877002

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11α)-18,21-Dihydroxy(2,2,4,6,6,17,21,21-2H8)-11,18-epoxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(11α)-18,21-Dihydroxy(2,2,4,6,6,17,21,21-2H8)-11,18-epoxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(11α)-18,21-Dihydroxy(2,2,4,6,6,17,21,21-2H8)-11,18-époxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione-2,2,4,6,6,17,21,21-d8, 11,18-epoxy-18,21-dihydroxy-, (11α)- [ACD/Index Name]
(1R,2S,5S,6S,14R,15S,16S)-2,8,8,10,12,12-hexadeuterio-2-(2,2-dideuterio-2-hydroxyacetyl)-18-hydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
1261254-31-2 [RN]
Aldosterone D8
Aldosterone-d8

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 206.8±23.6 °C
Index of Refraction: 1.605
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.45
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 61.45
Polar Surface Area: 84 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 272.1±5.0 cm3

Click to predict properties on the Chemicalize site


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