ChemSpider 2D Image | (3alpha,5beta,10xi,11beta,13xi,20S)-Pregnane-3,11,17,20,21-pentol | C21H36O5

(3α,5β,10ξ,11β,13ξ,20S)-Pregnane-3,11,17,20,21-pentol

  • Molecular FormulaC21H36O5
  • Average mass368.508 Da
  • Monoisotopic mass368.256287 Da
  • ChemSpider ID58817353

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3α,5β,10ξ,11β,13ξ,20S)-Pregnan-3,11,17,20,21-pentol [German] [ACD/IUPAC Name]
(3α,5β,10ξ,11β,13ξ,20S)-Pregnane-3,11,17,20,21-pentol [ACD/IUPAC Name]
(3α,5β,10ξ,11β,13ξ,20S)-Prégnane-3,11,17,20,21-pentol [French] [ACD/IUPAC Name]
Pregnane-3,11,17,20,21-pentol, (3α,5β,10ξ,11β,13ξ,20S)- [ACD/Index Name]
516-38-1 [RN]
Cortol
α-cortol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 255.0±24.7 °C
Index of Refraction: 1.586
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.41
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.41
Polar Surface Area: 101 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 294.1±3.0 cm3

Click to predict properties on the Chemicalize site


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