ChemSpider 2D Image | 1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate | C41H73O8P

1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID4779930

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5E,8E,11E,14E)-5,8,11,14-Icosatétraénoate de 1-(phosphonooxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl (5E,8E,11E,14E)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl-(5E,8E,11E,14E)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, 2-[(1-oxooctadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (5E,8E,11E,14E)- [ACD/Index Name]
119904-30-2 [RN]
1-Sapa
1-Stearoyl-2-arachidonoylphosphatidic acid
2-(ICOSA-5,8,11,14-TETRAENOYLOXY)-3-(OCTADECANOYLOXY)PROPOXYPHOSPHONIC ACID
2-[(5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXYPHOSPHONIC ACID
5,8,11,14-Eicosatetraenoic acid, 1-(((1-oxooctadecyl)oxy)methyl)-2-(phosphonooxy)ethyl ester, (all-Z)-

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): 813770.50
ACD/KOC (pH 5.5): 65338.45
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 95757.45
ACD/KOC (pH 7.4): 7688.46
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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