sodium 2-azaniumyl-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: sodium 2-azaniumyl-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: sodium 2-azaniumyl-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: sodium 2-ammonio-3-[[(2R)-2,3-bis(1-oxodecoxy)propoxy]-oxidophosphoryl]oxypropanoate IUPAC Name: sodium 2-azaniumyl-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate Traditional Name: sodium 2-ammonio-3-[[(2R)-2,3-dicapryloxypropoxy]-oxido-phosphoryl]oxy-propionate Formula: C26H49NNaO10P MolecularWeight: 589.631491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCC.[Na+]

InChI

InChI=1S/C26H50NO10P.Na/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2;/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33);/q;+1/p-1/t22-,23?;/m1./s1