(2S)-2-azaniumyl-3-[[(2R)-2-octadecanoyloxy-3-pentadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[[(2R)-2-octadecanoyloxy-3-pentadecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoate Openeye Name: (2S)-2-azaniumyl-3-[hydroxy-[(2R)-2-octadecanoyloxy-3-pentadecanoyloxy-propoxy]phosphoryl]oxy-propanoate CAS Name: (2S)-2-ammonio-3-[hydroxy-[(2R)-2-(1-oxooctadecoxy)-3-(1-oxopentadecoxy)propoxy]phosphoryl]oxypropanoate IUPAC Name: (2S)-2-azaniumyl-3-[hydroxy-[(2R)-2-octadecanoyloxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoate Traditional Name: (2S)-2-ammonio-3-[hydroxy-[(2R)-3-pentadecanoyloxy-2-stearoyloxy-propoxy]phosphoryl]oxy-propionate Formula: C39H76NO10P MolecularWeight: 749.995201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C39H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35-36H,3-34,40H2,1-2H3,(H,43,44)(H,45,46)/t35-,36+/m1/s1