[(2R,3R,4R,5R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hexadecanoate

Systemtic Name: [(2R,3R,4R,5R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hexadecanoate Openeye Name: [(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hexadecanoate Traditional Name: palmitic acid [(2R,3R,4R,5R)-2-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C26H43N5O6 MolecularWeight: 521.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C26H43N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(33)37-22-21(34)18(16-32)36-25(22)31-17-28-20-23(31)29-26(27)30-24(20)35/h17-18,21-22,25,32,34H,2-16H2,1H3,(H3,27,29,30,35)/t18-,21-,22-,25-/m1/s1