ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,16beta,17alpha)-11,16,17,21-Tetrahydroxypregn-4-ene-3,20-dione | C21H30O6

(8α,9β,10α,13α,14β,16β,17α)-11,16,17,21-Tetrahydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID114553412

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,16β,17α)-11,16,17,21-Tetrahydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,16β,17α)-11,16,17,21-Tetrahydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,16β,17α)-11,16,17,21-Tétrahydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11,16,17,21-tetrahydroxy-, (8α,9β,10α,13α,14β,16β,17α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 322.9±26.6 °C
Index of Refraction: 1.612
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 65.64
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 65.63
Polar Surface Area: 115 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

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