ChemSpider 2D Image | (5alpha,6alpha,15alpha,17alpha,22R)-14,15,17,20-Tetrahydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate | C30H40O10

(5α,6α,15α,17α,22R)-14,15,17,20-Tetrahydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate

  • Molecular FormulaC30H40O10
  • Average mass560.633 Da
  • Monoisotopic mass560.262146 Da
  • ChemSpider ID76795267

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,6α,15α,17α,22R)-14,15,17,20-Tetrahydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate [ACD/IUPAC Name]
(5α,6α,15α,17α,22R)-14,15,17,20-Tetrahydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6α,15α,17α,22R)-14,15,17,20-tétrahydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-dién-18-yle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 18-(acetyloxy)-5,6:22,26-diepoxy-14,15,17,20-tetrahydroxy-, (5α,6α,15α,17α,22R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.1±6.0 kJ/mol
Flash Point: 239.6±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 75.76
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 75.76
Polar Surface Area: 163 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 395.8±5.0 cm3

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