ChemSpider 2D Image | Prostaglandin A1 ethyl ester | C22H36O4

Prostaglandin A1 ethyl ester

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID21466916

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(8ξ,13E)-15-Hydroxy-9-oxoprosta-10,13-dién-1-oate d'éthyle [French] [ACD/IUPAC Name]
93464-24-5 [RN]
Ethyl (8ξ,13E)-15-hydroxy-9-oxoprosta-10,13-dien-1-oate [ACD/IUPAC Name]
Ethyl-(8ξ,13E)-15-hydroxy-9-oxoprosta-10,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-10,13-dien-1-oic acid, 15-hydroxy-9-oxo-, ethyl ester, (8ξ,13E)- [ACD/Index Name]
Prostaglandin A1 ethyl ester
9-oxo-15S-hydroxy-prosta-10,13E-dien-1-oic acid, ethyl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 480.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 155.3±22.2 °C
Index of Refraction: 1.519
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4293.88
ACD/KOC (pH 5.5): 13867.15
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4293.88
ACD/KOC (pH 7.4): 13867.15
Polar Surface Area: 64 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 351.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement