dihydrogen phosphate; [2-methyl-3-(octadecanoylamino)-3-oxidanyl-hexan-2-yl]azanium

Systemtic Name: dihydrogen phosphate; [2-methyl-3-(octadecanoylamino)-3-oxidanyl-hexan-2-yl]azanium Openeye Name: dihydrogen phosphate; [2-hydroxy-1,1-dimethyl-2-(octadecanoylamino)pentyl]ammonium CAS Name: dihydrogen phosphate; [3-hydroxy-2-methyl-3-(1-oxooctadecylamino)hexan-2-yl]ammonium IUPAC Name: dihydrogen phosphate; [3-hydroxy-2-methyl-3-(octadecanoylamino)hexan-2-yl]azanium Traditional Name: dihydrogen phosphate; (2-hydroxy-1,1-dimethyl-2-stearamido-pentyl)ammonium Formula: C25H55N2O6P MolecularWeight: 510.687761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(C)(C)[NH3+])O.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)(C(C)(C)[NH3+])O.OP(=O)(O)[O-]

InChI

InChI=1S/C25H52N2O2.H3O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(28)27-25(29,22-6-2)24(3,4)26;1-5(2,3)4/h29H,5-22,26H2,1-4H3,(H,27,28);(H3,1,2,3,4)