ChemSpider 2D Image | (3beta,5alpha,6beta,22E)-Ergosta-7,9(11),22-triene-3,5,6,14-tetrol | C28H44O4

(3β,5α,6β,22E)-Ergosta-7,9(11),22-triene-3,5,6,14-tetrol

  • Molecular FormulaC28H44O4
  • Average mass444.647 Da
  • Monoisotopic mass444.323975 Da
  • ChemSpider ID78443484

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,6β,22E)-Ergosta-7,9(11),22-trien-3,5,6,14-tetrol [German] [ACD/IUPAC Name]
(3β,5α,6β,22E)-Ergosta-7,9(11),22-triene-3,5,6,14-tetrol [ACD/IUPAC Name]
(3β,5α,6β,22E)-Ergosta-7,9(11),22-triène-3,5,6,14-tétrol [French] [ACD/IUPAC Name]
Ergosta-7,9(11),22-triene-3,5,6,14-tetrol, (3β,5α,6β,22E)- [ACD/Index Name]
3β,5α,6β,14α-tetrahydroxyergosta-7,9(11),22-triene
Fomentarol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 247.2±24.7 °C
Index of Refraction: 1.582
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2905.38
ACD/KOC (pH 5.5): 10484.69
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2905.37
ACD/KOC (pH 7.4): 10484.67
Polar Surface Area: 81 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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