ChemSpider 2D Image | 1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate | C25H44NO7P

1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate

  • Molecular FormulaC25H44NO7P
  • Average mass501.593 Da
  • Monoisotopic mass501.285553 Da
  • ChemSpider ID24608320

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z)-4,7,10,13-Icosatétraénoate de 1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoate [ACD/IUPAC Name]
1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(4Z,7Z,10Z,13Z)-4,7,10,13-icosatetraenoat [German] [ACD/IUPAC Name]
4,7,10,13-Eicosatetraenoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (4Z,7Z,10Z,13Z)- [ACD/Index Name]
Phosphatidylethanolamine lyso 20:4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 327.5±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 18.50
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 14.94
Polar Surface Area: 138 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 455.1±3.0 cm3

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