(3-azanyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid; (3-hexadecanoyloxy-2-octadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate; sodium

Systemtic Name: (3-azanyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid; (3-hexadecanoyloxy-2-octadecanoyloxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate; sodium Openeye Name: (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid; (3-hexadecanoyloxy-2-octadecanoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate; sodium CAS Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid; [3-(1-oxohexadecoxy)-2-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate; sodium IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid; (3-hexadecanoyloxy-2-octadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate; sodium Traditional Name: (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid; (3-hexadecanoyloxy-2-stearoyloxy-propyl) 2-(trimethylammonio)ethyl phosphate; sodium Formula: C45H95N2Na2O15P3 MolecularWeight: 1043.141023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.C(CN)C(O)(P(=O)(O)O)P(=O)(O)O.[Na].[Na]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.C(CN)C(O)(P(=O)(O)O)P(=O)(O)O.[Na].[Na]

InChI

InChI=1S/C42H84NO8P.C3H11NO7P2.2Na/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2;4-2-1-3(5,12(6,7)8)13(9,10)11;;/h40H,6-39H2,1-5H3;5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;