2-(6-aminopurin-9-yl)ethoxymethyl-[1,3-di(octadecanoyloxy)propan-2-yloxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[1,3-di(octadecanoyloxy)propan-2-yloxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[1,3-bis(1-oxooctadecoxy)propan-2-yloxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[1,3-di(octadecanoyloxy)propan-2-yloxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[2-stearoyloxy-1-(stearoyloxymethyl)ethoxy]phosphinic acid Formula: C47H86N5O8P MolecularWeight: 880.188201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C47H86N5O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(53)58-37-42(60-61(55,56)41-57-36-35-52-40-51-45-46(48)49-39-50-47(45)52)38-59-44(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,42H,3-38,41H2,1-2H3,(H,55,56)(H2,48,49,50)