ChemSpider 2D Image | (2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate | C25H44NO7P

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC25H44NO7P
  • Average mass501.593 Da
  • Monoisotopic mass501.285553 Da
  • ChemSpider ID59699842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl-(8E,11E,14E,17E)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8E,11E,14E,17E)-8,11,14,17-Icosatétraénoate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester, (8E,11E,14E,17E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-hydroxy-2-(icosa-8,11,14,17-tetraenoyloxy)propoxy]phosphinic acid
LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))

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: 5.40
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 10.70
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 8.64
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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