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Search term: 113380847 (Found by CSID)
ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9-oxononanoyl)oxy]propyl palmitate | C30H58NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9-oxononanoyl)oxy]propyl palmitate

  • Molecular FormulaC30H58NO9P
  • Average mass607.757 Da
  • Monoisotopic mass607.384888 Da
  • ChemSpider ID113380847

  • 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-[(9-oxononanoyl)oxy]propyl palmitate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(9-oxononanoyl)oxy]propylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1,9-dioxononyl)oxy]propyl ester [ACD/Index Name]
Palmitate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(9-oxononanoyl)oxy]propyle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-(9-oxo-nonanoyl)-sn-glycero-phosphoethanolamine
1-palmitoyl-2-(9-oxo-nonanoyl)-sn-glycero-phosphoethanolamine
PON-PE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 683.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.477
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 600.94
ACD/KOC (pH 5.5): 660.36
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 484.14
ACD/KOC (pH 7.4): 532.01
Polar Surface Area: 161 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 566.5±3.0 cm3

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