ChemSpider 2D Image | 3,17,21-Trihydroxypregn-5-en-20-one | C21H32O4

3,17,21-Trihydroxypregn-5-en-20-one

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID18511745

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

3,17,21-Trihydroxypregn-5-en-20-on [German] [ACD/IUPAC Name]
3,17,21-Trihydroxypregn-5-en-20-one [ACD/IUPAC Name]
3,17,21-Trihydroxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,17,21-trihydroxy- [ACD/Index Name]
Pregn-5-ene-3,17,21-triol-20-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 281.9±26.6 °C
Index of Refraction: 1.586
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.98
ACD/KOC (pH 5.5): 1274.56
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.97
ACD/KOC (pH 7.4): 1274.55
Polar Surface Area: 78 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


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