ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C41H74NO8P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC41H74NO8P
  • Average mass740.002 Da
  • Monoisotopic mass739.515198 Da
  • ChemSpider ID24768651

  • 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-(stearoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-octadecanoyl-glycero-3-phosphoethanolamine
1-Stearidonoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-2-(octadecanoyloxy)propoxyphosphinic acid
GPEtn(18:4/18:0)
GPEtn(18:4n3/18:0)
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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: 758.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.50
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 399436.78
ACD/KOC (pH 5.5): 69211.69
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 321798.56
ACD/KOC (pH 7.4): 55759.07
Polar Surface Area: 144 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 725.2±3.0 cm3

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