ChemSpider 2D Image | 4,5-dihydro-16?-hydroxyprednisolone | C21H30O6

4,5-dihydro-16?-hydroxyprednisolone

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID52084242

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(16α)-11,16,17,21-Tetrahydroxypregn-1-en-3,20-dion [German] [ACD/IUPAC Name]
(16α)-11,16,17,21-Tetrahydroxypregn-1-ene-3,20-dione [ACD/IUPAC Name]
(16α)-11,16,17,21-Tétrahydroxyprégn-1-ène-3,20-dione [French] [ACD/IUPAC Name]
1379578-67-2 [RN]
4,5-dihydro-16?-hydroxyprednisolone
Pregn-1-ene-3,20-dione, 11,16,17,21-tetrahydroxy-, (16α)- [ACD/Index Name]
4,5-DIHYDRO-16α-HYDROXYPREDNISOLONE

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

JJG0VT98AX [DBID]
UNII:JJG0VT98AX [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 315.1±26.6 °C
Index of Refraction: 1.603
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 55.76
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 55.76
Polar Surface Area: 115 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 282.1±3.0 cm3

Click to predict properties on the Chemicalize site


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