2-(6-aminopurin-9-yl)ethoxymethyl-(3-octadecoxypropoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-octadecoxypropoxy)phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-octadecoxypropoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-octadecoxypropoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-octadecoxypropoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl(3-stearyloxypropoxy)phosphinic acid Formula: C29H54N5O5P MolecularWeight: 583.743321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C29H54N5O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-37-21-18-22-39-40(35,36)26-38-23-19-34-25-33-27-28(30)31-24-32-29(27)34/h24-25H,2-23,26H2,1H3,(H,35,36)(H2,30,31,32)