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

Systemtic Name: [4-octadecanoyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Openeye Name: [4-octadecanoyloxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [4-(1-oxooctadecoxy)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-octadecanoyloxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [5-(6-keto-3H-purin-9-yl)-4-stearoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C46H80N4O6 MolecularWeight: 785.1506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H80N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(51)54-36-39-35-40(46(55-39)50-38-49-43-44(50)47-37-48-45(43)53)56-42(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40,46H,3-36H2,1-2H3,(H,47,48,53)