disodium [(2R)-3-(12-azanyldodecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate

Systemtic Name: disodium [(2R)-3-(12-azanyldodecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate Openeye Name: disodium [(2R)-3-(12-aminododecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate CAS Name: disodium [(2R)-3-(12-amino-1-oxododecoxy)-2-(1-oxohexadecoxy)propyl] phosphate IUPAC Name: disodium [(2R)-3-(12-aminododecanoyloxy)-2-hexadecanoyloxypropyl] phosphate Traditional Name: disodium [(2R)-3-(12-aminododecanoyloxy)-2-hexadecanoyloxy-propyl] phosphate Formula: C31H60NNa2O8P MolecularWeight: 651.763301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCN)COP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCN)COP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C31H62NO8P.2Na/c1-2-3-4-5-6-7-8-9-10-12-16-19-22-25-31(34)40-29(28-39-41(35,36)37)27-38-30(33)24-21-18-15-13-11-14-17-20-23-26-32;;/h29H,2-28,32H2,1H3,(H2,35,36,37);;/q;2*+1/p-2/t29-;;/m1../s1