5-[1-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl]oxypentanoic acid

Systemtic Name: 5-[1-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl]oxypentanoic acid Openeye Name: 5-[1-[[(2-amino-3-hydroxy-3-oxo-propoxy)-hydroxy-phosphoryl]oxymethyl]-2-hexadecoxy-ethoxy]pentanoic acid CAS Name: 5-[1-[(2-amino-3-hydroxy-3-oxopropoxy)-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl]oxypentanoic acid IUPAC Name: 5-[1-[(2-amino-3-hydroxy-3-oxopropoxy)-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl]oxypentanoic acid Traditional Name: 5-[1-[[(2-amino-3-hydroxy-3-keto-propoxy)-hydroxy-phosphoryl]oxymethyl]-2-cetyloxy-ethoxy]valeric acid Formula: C27H54NO10P MolecularWeight: 583.692121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C(=O)O)N)OCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C(=O)O)N)OCCCCC(=O)O

InChI

InChI=1S/C27H54NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-35-21-24(36-20-17-15-18-26(29)30)22-37-39(33,34)38-23-25(28)27(31)32/h24-25H,2-23,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)