[(2S,5R)-5-[6-(hexadecanoylamino)purin-9-yl]oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [(2S,5R)-5-[6-(hexadecanoylamino)purin-9-yl]oxolan-2-yl]methyl hexadecanoate Openeye Name: [(2S,5R)-5-[6-(hexadecanoylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(2S,5R)-5-[6-(1-oxohexadecylamino)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5R)-5-[6-(hexadecanoylamino)purin-9-yl]oxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [(2S,5R)-5-(6-palmitamidopurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C42H73N5O4 MolecularWeight: 712.06012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=NC=NC2=C1N=CN2C3CCC(O3)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3CC[C@H](O3)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H73N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(48)46-41-40-42(44-34-43-41)47(35-45-40)38-32-31-36(51-38)33-50-39(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-36,38H,3-33H2,1-2H3,(H,43,44,46,48)/t36-,38+/m0/s1