ChemSpider 2D Image | MFCD01457223 | C21H30O4

MFCD01457223

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID71081346

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(8ξ,10ξ)-17,21-Dihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,10ξ)-17,21-Dihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8ξ,10ξ)-17,21-Dihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
MFCD01457223
Pregn-4-ene-3,20-dione, 17,21-dihydroxy-, (8ξ,10ξ)- [ACD/Index Name]
(8α,9β,10α,14β,17α)-17,21-dihydroxypregn-4-ene-3,20-dione
17-α,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 285.1±26.6 °C
Index of Refraction: 1.578
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.51
ACD/KOC (pH 5.5): 671.68
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.51
ACD/KOC (pH 7.4): 671.67
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 283.4±5.0 cm3

Click to predict properties on the Chemicalize site


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