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

Systemtic Name: [4-hexadecanoyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl hexadecanoate Openeye Name: [4-hexadecanoyloxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [4-(1-oxohexadecoxy)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-hexadecanoyloxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [4-hexadecanoyloxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C42H72N4O6 MolecularWeight: 729.04428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C=NC3=C2NC=NC3=O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C=NC3=C2NC=NC3=O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H72N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(47)50-32-35-31-36(42(51-35)46-34-45-39-40(46)43-33-44-41(39)49)52-38(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,42H,3-32H2,1-2H3,(H,43,44,49)