ChemSpider 2D Image | (4beta,5beta,6beta,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-19,27-diyl diacetate | C32H42O9

(4β,5β,6β,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-19,27-diyl diacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID31134391

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4β,5β,6β,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-19,27-diyl-diacetat [German] [ACD/IUPAC Name]
(4β,5β,6β,22R)-4-Hydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-19,27-diyl diacetate [ACD/IUPAC Name]
Diacétate de (4β,5β,6β,22R)-4-hydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-diène-19,27-diyle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 19,27-bis(acetyloxy)-5,6:22,26-diepoxy-4-hydroxy-, (4β,5β,6β,22R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 228.8±26.4 °C
Index of Refraction: 1.579
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.13
ACD/KOC (pH 5.5): 2958.78
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.13
ACD/KOC (pH 7.4): 2958.77
Polar Surface Area: 129 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 439.5±5.0 cm3

Click to predict properties on the Chemicalize site


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