ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | C45H78NO8P

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

  • Molecular FormulaC45H78NO8P
  • Average mass792.076 Da
  • Monoisotopic mass791.546509 Da
  • ChemSpider ID24768816

  • 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-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (8Z,11Z,14Z)-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl-(8Z,11Z,14Z)-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-8,11,14-Icosatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]methyl]ethyl ester, (8Z,11Z,14Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine
1,2-Dihomo-g-linolenoyl-rac-glycero-3-phosphoethanolamine
1,2-Dihomo-γ-linolenoyl-rac-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2,3-bis[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxyphosphinic acid
GPEtn(20:3/20:3)
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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: 792.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 433.2±35.7 °C
Index of Refraction: 1.502
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.52
ACD/LogD (pH 5.5): 8.80
ACD/BCF (pH 5.5): 724807.75
ACD/KOC (pH 5.5): 106024.77
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 583928.69
ACD/KOC (pH 7.4): 85417.00
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 778.4±3.0 cm3

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