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Search term: 74876891 (Found by CSID)
ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C41H73O8P

(2R)-3-(Phosphonooxy)-2-(stearoyloxy)propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74876891

  • 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 (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(stearoyloxy)propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-3-(phosphonooxy)-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-2-[(1-oxooctadecyl)oxy]-3-(phosphonooxy)propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(octadecanoyloxy)propoxyphosphonic acid
[(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-(octadecanoyloxy)propoxy]phosphonic acid
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-octadecanoyl-glycero-3-phosphate
PA(18:0_20:4)
PA(20:4(5Z,8Z,11Z,14Z)/18:0)
PA(38:4)

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: 14.59
ACD/LogD (pH 5.5): 9.14
ACD/BCF (pH 5.5): 813983.19
ACD/KOC (pH 5.5): 65355.53
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 95776.80
ACD/KOC (pH 7.4): 7690.02
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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