ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (11Z)-11-icosenoate | C43H78NO8P

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

  • Molecular FormulaC43H78NO8P
  • Average mass768.055 Da
  • Monoisotopic mass767.546509 Da
  • ChemSpider ID24768710

  • 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

(11Z)-11-Icosénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid
1-(11Z-eicosenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
1-Eicosenoyl-2-g-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Eicosenoyl-2-γ-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid
GPEtn(20:1/18:3)
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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: 776.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 423.2±35.7 °C
Index of Refraction: 1.493
Molar Refractivity: 220.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.73
ACD/LogD (pH 5.5): 9.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 146127.52
ACD/LogD (pH 7.4): 8.97
ACD/BCF (pH 7.4): 914108.13
ACD/KOC (pH 7.4): 117723.39
Polar Surface Area: 144 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 758.2±3.0 cm3

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