ChemSpider 2D Image | (3alpha,5beta,17xi)-3,21-Dihydroxypregnane-11,20-dione | C21H32O4

(3α,5β,17ξ)-3,21-Dihydroxypregnane-11,20-dione

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID24850110

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,5β,17ξ)-3,21-Dihydroxypregnan-11,20-dion [German] [ACD/IUPAC Name]
(3α,5β,17ξ)-3,21-Dihydroxypregnane-11,20-dione [ACD/IUPAC Name]
(3α,5β,17ξ)-3,21-Dihydroxyprégnane-11,20-dione [French] [ACD/IUPAC Name]
Pregnane-11,20-dione, 3,21-dihydroxy-, (3α,5β,17ξ)- [ACD/Index Name]
(1S,2S,5R,7R,10S,11S,15S)-5-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-17-one
3a,21-Dihydroxy-5b-pregnane-11,20-dione
3α,21-Dihydroxy-5β-pregnane-11,20-dione
566-03-0 [RN]
5β-Pregnane-3α,21-diol-11,20-dione

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 275.4±26.6 °C
Index of Refraction: 1.549
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.76
ACD/KOC (pH 5.5): 441.28
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.76
ACD/KOC (pH 7.4): 441.28
Polar Surface Area: 75 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


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