ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C45H80NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC45H80NO8P
  • Average mass794.092 Da
  • Monoisotopic mass793.562134 Da
  • ChemSpider ID24768879

  • 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-[(11Z)-11-icosenoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid
1-Eicsoate
1-Eicsoatetraenoyl-2-eicosenoyl-sn-glycero-3-phosphoethanolamine
1-Eicsoic acid
2-aminoethoxy(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxyphosphinic acid
GPEtn(20:4/20:1)
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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: 15.04
ACD/LogD (pH 5.5): 8.90
ACD/BCF (pH 5.5): 866375.19
ACD/KOC (pH 5.5): 120467.30
ACD/LogD (pH 7.4): 8.81
ACD/BCF (pH 7.4): 697981.56
ACD/KOC (pH 7.4): 97052.59
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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