ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate | C45H80NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate

  • Molecular FormulaC45H80NO9P
  • Average mass810.092 Da
  • Monoisotopic mass809.557068 Da
  • ChemSpider ID117218118

  • 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-(icosanoyloxy)propyl (5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-(5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,13E)-15-Oxo-5,8,11,13-icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,13-Eicosatetraenoic acid, 15-oxo-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (5Z,8Z,11Z,13E)- [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: 826.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 453.5±37.1 °C
Index of Refraction: 1.495
Molar Refractivity: 229.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 211020.94
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 170002.91
Polar Surface Area: 161 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 788.3±3.0 cm3

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