ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C45H74NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC45H74NO8P
  • Average mass788.045 Da
  • Monoisotopic mass787.515198 Da
  • ChemSpider ID24768850

  • 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-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid
1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
1,2-Diarachidonoyl-glycero-3-phosphoethanolamine
1,2-Diarachidonoyl-rac-glycero-3-phosphoethanolamine
20:4 PE
2-aminoethoxy(2R)-2,3-bis[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxyphosphinic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 792.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.2±6.0 kJ/mol
Flash Point: 432.8±35.7 °C
Index of Refraction: 1.512
Molar Refractivity: 229.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.40
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 142675.31
ACD/KOC (pH 5.5): 33124.57
ACD/LogD (pH 7.4): 7.78
ACD/BCF (pH 7.4): 114937.06
ACD/KOC (pH 7.4): 26684.64
Polar Surface Area: 144 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 765.7±3.0 cm3

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