[1-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-hexyl] hexadecanoate

Systemtic Name: [1-[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-hexyl] hexadecanoate Openeye Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-hexyl] hexadecanoate CAS Name: hexadecanoic acid [1-[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxohexyl] ester IUPAC Name: [1-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxohexyl] hexadecanoate Traditional Name: palmitic acid [1-(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)-2-keto-hexyl] ester Formula: C31H51N5O5 MolecularWeight: 573.76714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)C(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)C(=O)CCCC

InChI

InChI=1S/C31H51N5O5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-26(39)41-28(23(37)18-6-4-2)29-24(38)20-25(40-29)36-22-35-27-30(32)33-21-34-31(27)36/h21-22,24-25,28-29,38H,3-20H2,1-2H3,(H2,32,33,34)