2-azanyl-3-[2,3-di(icosanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: 2-azanyl-3-[2,3-di(icosanoyloxy)propoxy-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-amino-3-[2,3-di(icosanoyloxy)propoxy-hydroxy-phosphoryl]oxy-propanoic acid CAS Name: 2-amino-3-[2,3-bis(1-oxoeicosoxy)propoxy-hydroxyphosphoryl]oxypropanoic acid IUPAC Name: 2-amino-3-[2,3-di(icosanoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid Traditional Name: 2-amino-3-[2,3-di(eicosanoyloxy)propoxy-hydroxy-phosphoryl]oxy-propionic acid Formula: C46H90NO10P MolecularWeight: 848.181261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H90NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-41,47H2,1-2H3,(H,50,51)(H,52,53)