ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C43H74NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC43H74NO8P
  • Average mass764.023 Da
  • Monoisotopic mass763.515198 Da
  • ChemSpider ID24768776

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-Meadoyl-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Meadoyl-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(20:3/18:3)
GPEtn(20:3n9/18:3n6)
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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: 775.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 422.7±35.7 °C
Index of Refraction: 1.504
Molar Refractivity: 220.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.65
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 503038.28
ACD/KOC (pH 5.5): 81633.35
ACD/LogD (pH 7.4): 8.50
ACD/BCF (pH 7.4): 405250.66
ACD/KOC (pH 7.4): 65764.31
Polar Surface Area: 144 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 745.4±3.0 cm3

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