ChemSpider 2D Image | (5beta,6beta,8xi,9xi,14xi,17xi,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-diene-21,27-diyl diacetate | C32H42O8

(5β,6β,8ξ,9ξ,14ξ,17ξ,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-diene-21,27-diyl diacetate

  • Molecular FormulaC32H42O8
  • Average mass554.671 Da
  • Monoisotopic mass554.287964 Da
  • ChemSpider ID344169

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(5β,6β,8ξ,9ξ,14ξ,17ξ,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-dien-21,27-diyl-diacetat [German] [ACD/IUPAC Name]
(5β,6β,8ξ,9ξ,14ξ,17ξ,22R)-1,26-Dioxo-5,6:22,26-diepoxyergosta-2,24-diene-21,27-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5β,6β,8ξ,9ξ,14ξ,17ξ,22R)-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-diène-21,27-diyle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 21,27-bis(acetyloxy)-5,6:22,26-diepoxy-, (5β,6β,8ξ,9ξ,14ξ,17ξ,22R)- [ACD/Index Name]
Withafastuosin D diacetate

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

NCI60_029746 [DBID]
NSC682990 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 283.4±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 674.25
ACD/KOC (pH 5.5): 3685.27
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 674.25
ACD/KOC (pH 7.4): 3685.27
Polar Surface Area: 109 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 441.7±5.0 cm3

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