ChemSpider 2D Image | 2-hexadecanoyl-sn-glycero-3-phosphoethanolamine | C21H44NO7P

2-hexadecanoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC21H44NO7P
  • Average mass453.550 Da
  • Monoisotopic mass453.285553 Da
  • ChemSpider ID24769354

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl palmitate [ACD/IUPAC Name]
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanylpalmitat [German] [ACD/IUPAC Name]
2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
2-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion
Hexadecanoic acid, (1R)-2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-(hydroxymethyl)ethyl ester [ACD/Index Name]
Palmitate de (2R)-1-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2R)-2-(hexadecanoyloxy)-3-hydroxypropoxy]phosphinic acid
(2R)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropan-2-yl hexadecanoate
1-Hydroxy-2-palmitoyl-sn-glycero-3-phosphoethanolamine
2-acyl-sn-glycero-3-phosphoethanolamine (n-C16:0)
More...

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

  • Miscellaneous

    • Chemical Class:

      A 2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine in which the acyl group is specified as hexadecanoyl (palmitoyl). ChEBI CHEBI:131743, CHEBI:132926
      A 2-acyl-<ital>sn</ital>-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-hexadecanoyl-<ital>sn</ital>-glycero-3-phosphoethanolamine ; major species at pH 7.3. ChEBI CHEBI:131743, CHEBI:132926
      A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as hexadecanoyl (palmitoyl). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131743, CHEBI:131743
      A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-hexadecanoyl-sn-glycero-3-phosphoethanolamine; ; major species at pH 7. 3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132926
      A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-hexadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. ChEBI CHEBI:132926

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.4±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 10.98
ACD/KOC (pH 5.5): 37.63
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 30.39
Polar Surface Area: 138 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 414.6±3.0 cm3

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