ChemSpider 2D Image | (3alpha,5alpha,6alpha,22R,23R,24S)-Ergostane-3,6,22,23-tetrol | C28H50O4

(3α,5α,6α,22R,23R,24S)-Ergostane-3,6,22,23-tetrol

  • Molecular FormulaC28H50O4
  • Average mass450.694 Da
  • Monoisotopic mass450.370911 Da
  • ChemSpider ID58837420

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5α,6α,22R,23R,24S)-Ergostan-3,6,22,23-tetrol [German] [ACD/IUPAC Name]
(3α,5α,6α,22R,23R,24S)-Ergostane-3,6,22,23-tetrol [ACD/IUPAC Name]
(3α,5α,6α,22R,23R,24S)-Ergostane-3,6,22,23-tétrol [French] [ACD/IUPAC Name]
Ergostane-3,6,22,23-tetrol, (3α,5α,6α,22R,23R,24S)- [ACD/Index Name]
6-hydroxytyphasterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 242.5±19.2 °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: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 807.77
ACD/KOC (pH 5.5): 4194.08
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 807.77
ACD/KOC (pH 7.4): 4194.08
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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