ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(stearoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C41H73O8P

(2R)-3-(Phosphonooxy)-2-(stearoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74876916

  • 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-(Phosphonooxy)-2-(stearoyloxy)propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(stearoyloxy)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-(phosphonooxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-2-[(1-oxooctadecyl)oxy]-3-(phosphonooxy)propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propoxyphosphonic acid
[(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]phosphonic acid
PA(20:4(8Z,11Z,14Z,17Z)/18:0)

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: 760.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.7±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 207.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.46
ACD/LogD (pH 5.5): 8.83
ACD/BCF (pH 5.5): 471848.28
ACD/KOC (pH 5.5): 44237.94
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 55517.82
ACD/KOC (pH 7.4): 5205.05
Polar Surface Area: 129 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 712.6±3.0 cm3

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