ChemSpider 2D Image | (1alpha,3beta,5alpha,6beta,11alpha)-1,3,5,6-Tetrahydroxyergostan-11-yl acetate | C30H52O6

(1α,3β,5α,6β,11α)-1,3,5,6-Tetrahydroxyergostan-11-yl acetate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID29214543
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(1α,3β,5α,6β,11α)-1,3,5,6-Tetrahydroxyergostan-11-yl acetate [ACD/IUPAC Name]
(1α,3β,5α,6β,11α)-1,3,5,6-Tetrahydroxyergostan-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,5α,6β,11α)-1,3,5,6-tétrahydroxyergostan-11-yle [French] [ACD/IUPAC Name]
Ergostane-1,3,5,6,11-pentol, 11-acetate, (1α,3β,5α,6β,11α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 182.3±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1387.03
ACD/KOC (pH 5.5): 6175.94
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1387.03
ACD/KOC (pH 7.4): 6175.94
Polar Surface Area: 107 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 444.0±5.0 cm3

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