azanium [(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl] [(2R)-3-dodecanoyloxy-2-tridecanoyloxy-propyl] phosphate

Systemtic Name: azanium [(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl] [(2R)-3-dodecanoyloxy-2-tridecanoyloxy-propyl] phosphate Openeye Name: ammonium [(2S)-2-amino-3-hydroxy-3-oxo-propyl] [(2R)-3-dodecanoyloxy-2-tridecanoyloxy-propyl] phosphate CAS Name: ammonium [(2S)-2-amino-3-hydroxy-3-oxopropyl] [(2R)-3-(1-oxododecoxy)-2-(1-oxotridecoxy)propyl] phosphate IUPAC Name: azanium [(2S)-2-amino-3-hydroxy-3-oxopropyl] [(2R)-3-dodecanoyloxy-2-tridecanoyloxypropyl] phosphate Traditional Name: ammonium [(2S)-2-amino-3-hydroxy-3-keto-propyl] [(2R)-3-lauroyloxy-2-tridecanoyloxy-propyl] phosphate Formula: C31H63N2O10P MolecularWeight: 654.813081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC(C(=O)O)N.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OC[C@@H](C(=O)O)N.[NH4+]

InChI

InChI=1S/C31H60NO10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-30(34)42-27(25-40-43(37,38)41-26-28(32)31(35)36)24-39-29(33)22-20-18-16-14-12-10-8-6-4-2;/h27-28H,3-26,32H2,1-2H3,(H,35,36)(H,37,38);1H3/t27-,28+;/m1./s1