(2-{[(S)-((2S)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium|(2-{[(S)-((2S)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimeth...

General Information

Structure

Molecular Formula

C₄₄H₈₀NO₈P

Molecular Mass

782.081661

Exact Mass

781.56215516

Charge

InChI

InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14+,17-15+,22-20+,23-21+/t42-/m0/s1

InChIKey

FVXDQWZBHIXIEJ-QLMRABNMSA-N

Canonic Smiles

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

Isomeric Smiles

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

Calculated Properties

JChem

Acid pKa

1.8550572

H Acceptors

H Donor