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

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

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID23010002
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β,5β)-3,17-Dihydroxypregnan-11,20-dion [German] [ACD/IUPAC Name]
(3β,5β)-3,17-Dihydroxypregnane-11,20-dione [ACD/IUPAC Name]
(3β,5β)-3,17-Dihydroxyprégnane-11,20-dione [French] [ACD/IUPAC Name]
Pregnane-11,20-dione, 3,17-dihydroxy-, (3β,5β)- [ACD/Index Name]
570-40-1 [RN]
5-β-PREGNAN-3-β, 17-DIOL-11,20-DIONE
5-β-PREGNAN-3-β,17-DIOL-11,20-DIONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 272.3±26.6 °C
Index of Refraction: 1.553
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.10
ACD/KOC (pH 5.5): 349.58
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.10
ACD/KOC (pH 7.4): 349.58
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

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