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The molecular formula is C73H140Na2O17P2.
The exact mass is 1396.93611555 g/mol.
There are 94 heavy atoms present.
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]
There are 78 rotatable bonds present.
The computed topological polar surface area is 243.
InChI=1S/C73H142O17P2.2Na/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-70(75)83-63-68(89-72(77)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)62-86-92(81,82)88-66-69(90-73(78)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)64-84-71(76)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;;/h67-69,74H,5-66H2,1-4H3,(H,79,80)(H,81,82);;/q;2*+1/p-2/t68-,69-;;/m1../s1
IUPAC Name: Disodium; [3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
There are 3 Covalently-Bonded Unit Counts present.
Depositor-Supplied Synonyms: 64043-42-1, PD118583, 1,1',2,2'-Tetrapalmitoyl cardiolipin (disodium salt)
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