ChemSpider 2D Image | (1beta,3beta,5alpha,6beta)-1,3,5,6-Tetrahydroxyergostan-25-yl acetate | C30H52O6

(1β,3β,5α,6β)-1,3,5,6-Tetrahydroxyergostan-25-yl acetate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID27025880
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(1β,3β,5α,6β)-1,3,5,6-Tetrahydroxyergostan-25-yl acetate [ACD/IUPAC Name]
(1β,3β,5α,6β)-1,3,5,6-Tetrahydroxyergostan-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,3β,5α,6β)-1,3,5,6-tétrahydroxyergostan-25-yle [French] [ACD/IUPAC Name]
Ergostane-1,3,5,6,25-pentol, 25-acetate, (1β,3β,5α,6β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 182.3±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1955.68
ACD/KOC (pH 5.5): 7897.82
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1955.68
ACD/KOC (pH 7.4): 7897.82
Polar Surface Area: 107 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 444.9±3.0 cm3

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