ChemSpider 2D Image | (3beta,5alpha,6beta,8xi,9xi,14xi,17xi)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate | C30H52O6

(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID17209486
  • defined stereocentres - 7 of 12 defined stereocentres


More details:






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

(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-tétrahydroxyergostan-25-yle [French] [ACD/IUPAC Name]
Ergostane-3,5,6,25,26-pentol, 25-acetate, (3β,5α,6β,8ξ,9ξ,14ξ,17ξ)- [ACD/Index Name]
24S-ergostane-pentaol 25-monoacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 618.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 191.2±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1892.17
ACD/KOC (pH 5.5): 7713.38
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1892.17
ACD/KOC (pH 7.4): 7713.38
Polar Surface Area: 107 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

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