ChemSpider 2D Image | 5a-ergostane-1§,3§,5,6§-tetrol | C28H50O4

5a-ergostane-1§,3§,5,6§-tetrol

  • Molecular FormulaC28H50O4
  • Average mass450.694 Da
  • Monoisotopic mass450.370911 Da
  • ChemSpider ID27025879

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3β,5α,6β)-Ergostan-1,3,5,6-tetrol [German] [ACD/IUPAC Name]
(1β,3β,5α,6β)-Ergostane-1,3,5,6-tetrol [ACD/IUPAC Name]
(1β,3β,5α,6β)-Ergostane-1,3,5,6-tétrol [French] [ACD/IUPAC Name]
5a-ergostane-1§,3§,5,6§-tetrol
Ergostane-1,3,5,6-tetrol, (1β,3β,5α,6β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 228.1±24.7 °C
Index of Refraction: 1.547
Molar Refractivity: 129.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2299.35
ACD/KOC (pH 5.5): 8868.17
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2299.35
ACD/KOC (pH 7.4): 8868.17
Polar Surface Area: 81 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 408.7±3.0 cm3

Click to predict properties on the Chemicalize site


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