(2R)-3-{[(R)-(2-Aminoethoxy)(Hydroxy)Phosphoryl]Oxy}-2-[(9E,12E)-9,12-Hexadecadienoyloxy]Propyl (8E,12E,16E)-8,12,16-Octadecatrienoate

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Properties Simple | Detailed

Formula C39H68NO8P
IUPAC Name [(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9e,12e)-hexadeca-9,12-dienoyl]oxy-propyl] (8e,12e,16e)-octadeca-8,12,16-trienoate
Molecular Mass 709.933 g·mol−1
Heat of Formation -1971.5 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 954.3 Å 3
Surface Area 865.97 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (8e,12e,16e)-octadeca-8,12,16-trienoic acid [(2r)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-[(9e,12e)-hexadeca-9,12-dienoyl]oxy-propyl] ester
  • (8e,12e,16e)-octadeca-8,12,16-trienoic acid [(2r)-3-(2-aminoethoxy-hydroxyphosphoryl)oxy-2-[(9e,12e)-1-oxohexadeca-9,12-dienoxy]propyl] ester
  • [(2r)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-[(9e,12e)-hexadeca-9,12-dienoyl]oxy-propyl] (8e,12e,16e)-octadeca-8,12,16-trienoate
  • [(2r)-3-(2-aminoethoxy-hydroxyphosphoryl)oxy-2-[(9e,12e)-hexadeca-9,12-dienoyl]oxypropyl] (8e,12e,16e)-octadeca-8,12,16-trienoate
InChIKey MABRTXOVHMDVAT-WNZOEQCESA-N
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