ChemSpider 2D Image | 3,8,12,14,17-Pentahydroxypregn-5-en-20-one | C21H32O6

3,8,12,14,17-Pentahydroxypregn-5-en-20-one

  • Molecular FormulaC21H32O6
  • Average mass380.475 Da
  • Monoisotopic mass380.219879 Da
  • ChemSpider ID72391302

More details:

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

3,8,12,14,17-Pentahydroxypregn-5-en-20-on [German] [ACD/IUPAC Name]
3,8,12,14,17-Pentahydroxypregn-5-en-20-one [ACD/IUPAC Name]
3,8,12,14,17-Pentahydroxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3,8,12,14,17-pentahydroxy- [ACD/Index Name]
3513-04-0 [RN]
Deacylmetaplexigenin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.8±26.6 °C
Index of Refraction: 1.623
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.98
ACD/KOC (pH 5.5): 76.13
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.98
ACD/KOC (pH 7.4): 76.13
Polar Surface Area: 118 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

Click to predict properties on the Chemicalize site


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