ChemSpider 2D Image | plakoridine A | C35H57NO5

plakoridine A

  • Molecular FormulaC35H57NO5
  • Average mass571.831 Da
  • Monoisotopic mass571.423645 Da
  • ChemSpider ID8432945

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R,5E)-4-Hydroxy-1-[2-(4-hydroxyphényl)éthyl]-5-(2-oxooctadécylidène)-2-propyl-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-5-(2-oxooctadecylidene)-2-propyl-, methyl ester, (2S,3S,4R,5E)- [ACD/Index Name]
Methyl (2S,3S,4R,5E)-4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-5-(2-oxooctadecylidene)-2-propyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(2S,3S,4R,5E)-4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-5-(2-oxooctadecyliden)-2-propyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
plakoridine A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.6±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 10.95
ACD/LogD (pH 5.5): 10.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6869559.00
ACD/LogD (pH 7.4): 10.04
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6915365.50
Polar Surface Area: 87 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 543.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement