N-(2-hydroxyethyl)-[(2S)-3-octadecanoyloxy-1-oxidanyl-4,5-bis(oxidanylidene)octan-2-yl]oxy-phosphonamidic acid

Systemtic Name: N-(2-hydroxyethyl)-[(2S)-3-octadecanoyloxy-1-oxidanyl-4,5-bis(oxidanylidene)octan-2-yl]oxy-phosphonamidic acid Openeye Name: N-(2-hydroxyethyl)-[(1S)-1-(hydroxymethyl)-2-octadecanoyloxy-3,4-dioxo-heptoxy]phosphonamidic acid CAS Name: [(2S)-1-hydroxy-4,5-dioxo-3-(1-oxooctadecoxy)octan-2-yl]oxy-N-(2-hydroxyethyl)phosphonamidic acid IUPAC Name: N-(2-hydroxyethyl)-[(2S)-1-hydroxy-3-octadecanoyloxy-4,5-dioxooctan-2-yl]oxyphosphonamidic acid Traditional Name: [(1S)-3,4-diketo-1-methylol-2-stearoyloxy-heptoxy]-N-(2-hydroxyethyl)phosphonamidic acid Formula: C28H54NO9P MolecularWeight: 579.703421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(CO)OP(=O)(NCCO)O)C(=O)C(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC([C@H](CO)OP(=O)(NCCO)O)C(=O)C(=O)CCC

InChI

InChI=1S/C28H54NO9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(33)37-28(27(34)24(32)19-4-2)25(23-31)38-39(35,36)29-21-22-30/h25,28,30-31H,3-23H2,1-2H3,(H2,29,35,36)/t25-,28?/m0/s1