Found 1 result

Search term: YHSUDIUGNVRYKG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[(8xi,9xi,14xi,17xi,20xi)-Cholestan-3-yloxy]-2-oxoethyl salicylate | C36H54O5

2-[(8ξ,9ξ,14ξ,17ξ,20ξ)-Cholestan-3-yloxy]-2-oxoethyl salicylate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID8206425
  • defined stereocentres - 2 of 9 defined stereocentres


More details:






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

2-[(8ξ,9ξ,14ξ,17ξ,20ξ)-Cholestan-3-yloxy]-2-oxoethyl salicylate [ACD/IUPAC Name]
2-[(8ξ,9ξ,14ξ,17ξ,20ξ)-Cholestan-3-yloxy]-2-oxoethylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, 2-[(8ξ,9ξ,14ξ,17ξ,20ξ)-cholestan-3-yloxy]-2-oxoethyl ester [ACD/Index Name]
Salicylate de 2-[(8ξ,9ξ,14ξ,17ξ,20ξ)-cholestan-3-yloxy]-2-oxoéthyle [French] [ACD/IUPAC 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: 633.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 188.3±19.4 °C
Index of Refraction: 1.550
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.81
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 510.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement