ChemSpider 2D Image | (2alpha,3alpha,5alpha,22R,23R)-Ergostane-2,3,22,23-tetrol | C28H50O4

(2α,3α,5α,22R,23R)-Ergostane-2,3,22,23-tetrol

  • Molecular FormulaC28H50O4
  • Average mass450.694 Da
  • Monoisotopic mass450.370911 Da
  • ChemSpider ID57620762
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(2α,3α,5α,22R,23R)-Ergostan-2,3,22,23-tetrol [German] [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-Ergostane-2,3,22,23-tetrol [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-Ergostane-2,3,22,23-tétrol [French] [ACD/IUPAC Name]
Ergostane-2,3,22,23-tetrol, (2α,3α,5α,22R,23R)- [ACD/Index Name]
169869-41-4 [RN]
6-Deoxo-24-epicastasterone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 234.7±17.8 °C
Index of Refraction: 1.535
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1083.15
ACD/KOC (pH 5.5): 5174.03
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1083.15
ACD/KOC (pH 7.4): 5174.03
Polar Surface Area: 81 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 415.8±3.0 cm3

Click to predict properties on the Chemicalize site






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