[5-(hydroxymethyl)-2-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] octadecanoate

Systemtic Name: [5-(hydroxymethyl)-2-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] octadecanoate Openeye Name: [5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] octadecanoate CAS Name: octadecanoic acid [5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] octadecanoate Traditional Name: stearic acid [2-(6-keto-3H-purin-9-yl)-5-methylol-tetrahydrofuran-3-yl] ester Formula: C28H46N4O5 MolecularWeight: 518.68864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CC(OC1N2C=NC3=C2NC=NC3=O)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CC(OC1N2C=NC3=C2NC=NC3=O)CO

InChI

InChI=1S/C28H46N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(34)37-23-18-22(19-33)36-28(23)32-21-31-25-26(32)29-20-30-27(25)35/h20-23,28,33H,2-19H2,1H3,(H,29,30,35)