ChemSpider 2D Image | (5alpha,6beta,15alpha,22R)-5,6,14-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate | C30H40O8

(5α,6β,15α,22R)-5,6,14-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID10219140

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5α,6β,15α,22R)-5,6,14-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl acetate [ACD/IUPAC Name]
(5α,6β,15α,22R)-5,6,14-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,16,24-trien-15-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6β,15α,22R)-5,6,14-trihydroxy-1,26-dioxo-22,26-époxyergosta-2,16,24-trién-15-yle [French] [ACD/IUPAC Name]
Ergosta-2,16,24-triene-1,26-dione, 15-(acetyloxy)-22,26-epoxy-5,6,14-trihydroxy-, (5α,6β,15α,22R)- [ACD/Index Name]
110202-66-9 [RN]
15α-acetoxy-5α,6β,14α-trihydroxy-1-oxo-witha2,16,24-trien-26,22-olide
withaminimin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 217.5±25.0 °C
Index of Refraction: 1.599
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.88
ACD/KOC (pH 5.5): 486.94
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.88
ACD/KOC (pH 7.4): 486.94
Polar Surface Area: 130 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

Click to predict properties on the Chemicalize site


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