ChemSpider 2D Image | (3beta,5alpha,6beta,8xi,9xi,14xi,17xi,22R,24xi)-3,5,22,24-Tetrahydroxyergostan-6-yl acetate | C30H52O6

(3β,5α,6β,8ξ,9ξ,14ξ,17ξ,22R,24ξ)-3,5,22,24-Tetrahydroxyergostan-6-yl acetate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID10472677
  • 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,22R,24ξ)-3,5,22,24-Tetrahydroxyergostan-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,8ξ,9ξ,14ξ,17ξ,22R,24ξ)-3,5,22,24-Tetrahydroxyergostan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,8ξ,9ξ,14ξ,17ξ,22R,24ξ)-3,5,22,24-tétrahydroxyergostan-6-yle [French] [ACD/IUPAC Name]
Ergostane-3,5,6,22,24-pentol, 6-acetate, (3β,5α,6β,8ξ,9ξ,14ξ,17ξ,22R,24ξ)- [ACD/Index Name]
24-methyl-5§-cholestan-pentol 6-acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 191.3±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 552.17
ACD/KOC (pH 5.5): 3194.31
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 552.17
ACD/KOC (pH 7.4): 3194.31
Polar Surface Area: 107 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 443.2±5.0 cm3

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