ChemSpider 2D Image | (3beta,5alpha,6beta,22E,24xi)-Ergosta-7,22,25-triene-3,5,6-triol | C28H44O3

(3β,5α,6β,22E,24ξ)-Ergosta-7,22,25-triene-3,5,6-triol

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID29216363

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5α,6β,22E,24ξ)-Ergosta-7,22,25-trien-3,5,6-triol [German] [ACD/IUPAC Name]
(3β,5α,6β,22E,24ξ)-Ergosta-7,22,25-triene-3,5,6-triol [ACD/IUPAC Name]
(3β,5α,6β,22E,24ξ)-Ergosta-7,22,25-triène-3,5,6-triol [French] [ACD/IUPAC Name]
Ergosta-7,22,25-triene-3,5,6-triol, (3β,5α,6β,22E,24ξ)- [ACD/Index Name]
biemnasterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 540.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 224.9±24.7 °C
Index of Refraction: 1.564
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19455.01
ACD/KOC (pH 5.5): 40895.48
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19454.99
ACD/KOC (pH 7.4): 40895.43
Polar Surface Area: 61 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement