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

Systemtic Name: [4-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Openeye Name: [4-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [4-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [4-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C28H46N4O5 MolecularWeight: 518.68864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C=NC3=C2NC=NC3=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C=NC3=C2NC=NC3=O)O

InChI

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