ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl (9E,12E)-9,12-octadecadienoate | C41H76NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl (9E,12E)-9,12-octadecadienoate

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID59698705

  • 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-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl (9E,12E)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl-(9E,12E)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9E,12E)-9,12-Octadécadiénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1E,11E)-1,11-octadécadién-1-yloxy]propyle [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1E,11E)-1,11-octadecadien-1-yloxy]propyl ester, (9E,12E)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-(octadeca-1,11-dien-1-yloxy)-3-(octadeca-9,12-dienoyloxy)propoxy]phosphinic acid
PE(18:2(9Z,12Z)/P-18:1(11Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 753.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 409.2±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.79
ACD/LogD (pH 5.5): 8.85
ACD/BCF (pH 5.5): 793472.44
ACD/KOC (pH 5.5): 113124.07
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 642433.88
ACD/KOC (pH 7.4): 91590.75
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

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