ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate | C43H76NO7P

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

  • Molecular FormulaC43H76NO7P
  • Average mass750.040 Da
  • Monoisotopic mass749.535950 Da
  • ChemSpider ID59699014

  • 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)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl (8E,11E,14E,17E)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl-(8E,11E,14E,17E)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8E,11E,14E,17E)-8,11,14,17-Icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl ester, (8E,11E,14E,17E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-(icosa-8,11,14,17-tetraenoyloxy)-2-(octadeca-1,11-dien-1-yloxy)propoxy]phosphinic acid
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z))

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

Density: 1.0±0.1 g/cm3
Boiling Point: 770.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.9±6.0 kJ/mol
Flash Point: 419.5±35.7 °C
Index of Refraction: 1.501
Molar Refractivity: 220.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.49
ACD/LogD (pH 5.5): 8.17
ACD/BCF (pH 5.5): 238354.84
ACD/KOC (pH 5.5): 47829.16
ACD/LogD (pH 7.4): 8.08
ACD/BCF (pH 7.4): 192983.67
ACD/KOC (pH 7.4): 38724.81
Polar Surface Area: 127 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 748.3±3.0 cm3

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