disodium [(2R)-3-[2,3-bis(oxidanyl)-1-phosphonato-propoxy]-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: disodium [(2R)-3-[2,3-bis(oxidanyl)-1-phosphonato-propoxy]-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: disodium [(2R)-3-(2,3-dihydroxy-1-phosphonato-propoxy)-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: disodium hexadecanoic acid [(2R)-3-(2,3-dihydroxy-1-phosphonatopropoxy)-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: disodium [(2R)-3-(2,3-dihydroxy-1-phosphonatopropoxy)-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: disodium palmitic acid [(2R)-3-(2,3-dihydroxy-1-phosphonato-propoxy)-2-hexadecanoyloxy-propyl] ester Formula: C38H73Na2O10P MolecularWeight: 766.933521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(C(CO)O)P(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(C(CO)O)P(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+]

InChI

InChI=1S/C38H75O10P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(41)46-32-34(33-47-38(35(40)31-39)49(43,44)45)48-37(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h34-35,38-40H,3-33H2,1-2H3,(H2,43,44,45);;/q;2*+1/p-2/t34-,35?,38?;;/m1../s1