ChemSpider 2D Image | (2alpha,3alpha,5alpha,9xi,10alpha,13alpha,14beta,17alpha)-2,3,14-Trihydroxypregn-7-ene-6,20-dione | C21H30O5

(2α,3α,5α,9ξ,10α,13α,14β,17α)-2,3,14-Trihydroxypregn-7-ene-6,20-dione

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID113598268

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α,3α,5α,9ξ,10α,13α,14β,17α)-2,3,14-Trihydroxypregn-7-en-6,20-dion [German] [ACD/IUPAC Name]
(2α,3α,5α,9ξ,10α,13α,14β,17α)-2,3,14-Trihydroxypregn-7-ene-6,20-dione [ACD/IUPAC Name]
(2α,3α,5α,9ξ,10α,13α,14β,17α)-2,3,14-Trihydroxyprégn-7-ène-6,20-dione [French] [ACD/IUPAC Name]
Pregn-7-ene-6,20-dione, 2,3,14-trihydroxy-, (2α,3α,5α,9ξ,10α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 298.2±26.6 °C
Index of Refraction: 1.593
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 80.92
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.25
ACD/KOC (pH 7.4): 80.92
Polar Surface Area: 95 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 282.0±5.0 cm3

Click to predict properties on the Chemicalize site


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