2-(6-aminopurin-9-yl)ethoxymethyl-(3-hexadecanoyloxy-2-oxidanyl-propoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hexadecanoyloxy-2-oxidanyl-propoxy)phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hexadecanoyloxy-2-hydroxy-propoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-hydroxy-3-(1-oxohexadecoxy)propoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hexadecanoyloxy-2-hydroxypropoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-(3-hexadecanoyloxy-2-hydroxy-propoxy)phosphinic acid Formula: C27H48N5O7P MolecularWeight: 585.673081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(COCCN1C=NC2=C1N=CN=C2N)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(COCCN1C=NC2=C1N=CN=C2N)O)O

InChI

InChI=1S/C27H48N5O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(34)38-18-23(33)19-39-40(35,36)22-37-17-16-32-21-31-25-26(28)29-20-30-27(25)32/h20-21,23,33H,2-19,22H2,1H3,(H,35,36)(H2,28,29,30)