ChemSpider 2D Image | (3beta,20R,22E,24R)-3-Hydroxyergosta-5,8(14),22-triene-7,15-dione | C28H40O3

(3β,20R,22E,24R)-3-Hydroxyergosta-5,8(14),22-triene-7,15-dione

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID26949203

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,20R,22E,24R)-3-Hydroxyergosta-5,8(14),22-trien-7,15-dion [German] [ACD/IUPAC Name]
(3β,20R,22E,24R)-3-Hydroxyergosta-5,8(14),22-triene-7,15-dione [ACD/IUPAC Name]
(3β,20R,22E,24R)-3-Hydroxyergosta-5,8(14),22-triène-7,15-dione [French] [ACD/IUPAC Name]
Ergosta-5,8(14),22-triene-7,15-dione, 3-hydroxy-, (3β,20R,22E,24R)- [ACD/Index Name]
3β-hydroxyl-(22E, 24R)-ergosta-5,8(14),22-trien-7,15-dione
3β-hydroxyl-(22E,24R)-ergosta-5,8(14),22-trien-7,15-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 562.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 308.3±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13819.73
ACD/KOC (pH 5.5): 32015.28
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13819.73
ACD/KOC (pH 7.4): 32015.28
Polar Surface Area: 54 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 387.0±5.0 cm3

Click to predict properties on the Chemicalize site


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