ChemSpider 2D Image | (1alpha,3beta,11alpha,22E)-3,11-Dihydroxy-18-oxoergosta-5,22,24(28)-trien-1-yl acetate | C30H44O5

(1α,3β,11α,22E)-3,11-Dihydroxy-18-oxoergosta-5,22,24(28)-trien-1-yl acetate

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID40256815

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,11α,22E)-3,11-Dihydroxy-18-oxoergosta-5,22,24(28)-trien-1-yl acetate [ACD/IUPAC Name]
(1α,3β,11α,22E)-3,11-Dihydroxy-18-oxoergosta-5,22,24(28)-trien-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,11α,22E)-3,11-dihydroxy-18-oxoergosta-5,22,24(28)-trién-1-yle [French] [ACD/IUPAC Name]
Ergosta-5,22,24(28)-trien-18-al, 1-(acetyloxy)-3,11-dihydroxy-, (1α,3β,11α,22E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 186.0±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1595.86
ACD/KOC (pH 5.5): 6828.14
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1595.86
ACD/KOC (pH 7.4): 6828.14
Polar Surface Area: 84 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 426.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement