bis[(2S)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] triacontanedioate

Systemtic Name: bis[(2S)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] triacontanedioate Openeye Name: bis[(1S)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] triacontanedioate CAS Name: triacontanedioic acid bis[(2S)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxotetradecoxy)propan-2-yl] ester IUPAC Name: bis[(2S)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] triacontanedioate Traditional Name: triacontanedioic acid bis[(1S)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-tetradecanoyloxy-ethyl] ester Formula: C68H134N2O16P2 MolecularWeight: 1297.742882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN

InChI

InChI=1S/C68H134N2O16P2/c1-3-5-7-9-11-13-31-35-39-43-47-51-65(71)79-59-63(61-83-87(75,76)81-57-55-69)85-67(73)53-49-45-41-37-33-29-27-25-23-21-19-17-15-16-18-20-22-24-26-28-30-34-38-42-46-50-54-68(74)86-64(62-84-88(77,78)82-58-56-70)60-80-66(72)52-48-44-40-36-32-14-12-10-8-6-4-2/h63-64H,3-62,69-70H2,1-2H3,(H,75,76)(H,77,78)/t63-,64-/m0/s1