ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (5S,6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-icosatetraenoate | C43H78NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl (5S,6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-icosatetraenoate

  • Molecular FormulaC43H78NO9P
  • Average mass784.055 Da
  • Monoisotopic mass783.541443 Da
  • ChemSpider ID117217490

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 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 (5S,6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyl-(5S,6E,8Z,11Z,14Z)-5-hydroxy-6,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6E,8Z,11Z,14Z)-5-Hydroxy-6,8,11,14-icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(stearoyloxy)propyle [French] [ACD/IUPAC Name]
6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (5S,6E,8Z,11Z,14Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 805.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.4±6.0 kJ/mol
Flash Point: 441.1±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 221.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.17
ACD/LogD (pH 5.5): 8.61
ACD/BCF (pH 5.5): 514454.09
ACD/KOC (pH 5.5): 82955.13
ACD/LogD (pH 7.4): 8.51
ACD/BCF (pH 7.4): 414452.31
ACD/KOC (pH 7.4): 66829.96
Polar Surface Area: 164 Å2
Polarizability: 88.0±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 756.1±3.0 cm3

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