ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C47H76NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC47H76NO8P
  • Average mass814.082 Da
  • Monoisotopic mass813.530884 Da
  • ChemSpider ID24769107

  • 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 (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid
1-Docosapentaenoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxyphosphinic acid
GPEtn(22:5/20:4)
GPEtn(22:5n3/20:4n6)
GPEtn(22:5w3/20:4w6)
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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: 808.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 127.8±6.0 kJ/mol
Flash Point: 442.9±37.1 °C
Index of Refraction: 1.516
Molar Refractivity: 239.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.67
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 125835.85
ACD/KOC (pH 5.5): 30276.64
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 101372.89
ACD/KOC (pH 7.4): 24390.75
Polar Surface Area: 144 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 792.3±3.0 cm3

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