ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate | C45H80NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H80NO8P
  • Average mass794.092 Da
  • Monoisotopic mass793.562134 Da
  • ChemSpider ID24769001

  • 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

(13Z,16Z)-13,16-Docosadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-(13Z,16Z-docosadienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphoethanolamine
1-Docosadienoyl-2-a-linolenoyl-sn-glycero-3-phosphoethanolamine
1-Docosadienoyl-2-α-linolenoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(22:2/18:3)
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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: 793.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 433.5±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 15.20
ACD/LogD (pH 5.5): 8.93
ACD/BCF (pH 5.5): 896971.88
ACD/KOC (pH 5.5): 123497.48
ACD/LogD (pH 7.4): 8.83
ACD/BCF (pH 7.4): 722631.31
ACD/KOC (pH 7.4): 99493.81
Polar Surface Area: 144 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 784.8±3.0 cm3

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