ChemSpider 2D Image | 1-({6-[(3beta,8xi,9xi,14xi)-Cholest-5-en-3-yloxy]hexanoyl}oxy)-2,5-pyrrolidinedione | C37H59NO5

1-({6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexanoyl}oxy)-2,5-pyrrolidinedione

  • Molecular FormulaC37H59NO5
  • Average mass597.868 Da
  • Monoisotopic mass597.439331 Da
  • ChemSpider ID113688

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

1-({6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexanoyl}oxy)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-({6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexanoyl}oxy)-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-({6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-én-3-yloxy]hexanoyl}oxy)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[[6-[(3β,8ξ,9ξ,14ξ)-cholest-5-en-3-yloxy]-1-oxohexyl]oxy]- [ACD/Index Name]
103003-22-1 [RN]
Cholesteryl 5-carboxypentyl ether N-hydroxysuccinimide ester
Cholesteryl ether ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 655.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.3±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.54
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 946114.19
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 946114.19
Polar Surface Area: 73 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 544.8±5.0 cm3

Click to predict properties on the Chemicalize site


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