ChemSpider 2D Image | (3alpha,5alpha,11beta,16beta,24xi)-3,11,16,20-Tetrahydroxyergostane-22,25-diyl diacetate | C32H54O8

(3α,5α,11β,16β,24ξ)-3,11,16,20-Tetrahydroxyergostane-22,25-diyl diacetate

  • Molecular FormulaC32H54O8
  • Average mass566.766 Da
  • Monoisotopic mass566.381897 Da
  • ChemSpider ID29214500

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(3α,5α,11β,16β,24ξ)-3,11,16,20-Tetrahydroxyergostan-22,25-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,5α,11β,16β,24ξ)-3,11,16,20-Tetrahydroxyergostane-22,25-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,5α,11β,16β,24ξ)-3,11,16,20-tétrahydroxyergostane-22,25-diyle [French] [ACD/IUPAC Name]
Ergostane-3,11,16,20,22,25-hexol, 22,25-diacetate, (3α,5α,11β,16β,24ξ)- [ACD/Index Name]
11b16bdihydroxyhippuristerol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 204.9±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.99
ACD/KOC (pH 5.5): 1743.56
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.99
ACD/KOC (pH 7.4): 1743.56
Polar Surface Area: 134 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 485.2±3.0 cm3

Click to predict properties on the Chemicalize site


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