ChemSpider 2D Image | (5alpha,6beta,9xi,22R)-5,6,14,20,27-Pentahydroxy-22,26-epoxyergost-24-ene-1,26-dione | C28H42O8

(5α,6β,9ξ,22R)-5,6,14,20,27-Pentahydroxy-22,26-epoxyergost-24-ene-1,26-dione

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID4478547

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5α,6β,9ξ,22R)-5,6,14,20,27-Pentahydroxy-22,26-epoxyergost-24-en-1,26-dion [German] [ACD/IUPAC Name]
(5α,6β,9ξ,22R)-5,6,14,20,27-Pentahydroxy-22,26-epoxyergost-24-ene-1,26-dione [ACD/IUPAC Name]
(5α,6β,9ξ,22R)-5,6,14,20,27-Pentahydroxy-22,26-époxyergost-24-ène-1,26-dione [French] [ACD/IUPAC Name]
Ergost-24-ene-1,26-dione, 22,26-epoxy-5,6,14,20,27-pentahydroxy-, (5α,6β,9ξ,22R)- [ACD/Index Name]
(20R,22R)-5α,6β,14α,20,27-Pentahydroxy-1-oxowith-24-enolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 231.4±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 71.11
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 71.11
Polar Surface Area: 145 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

Click to predict properties on the Chemicalize site


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