[1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] hexadecanoate

Systemtic Name: [1-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-heptadecyl] hexadecanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-oxo-heptadecyl] hexadecanoate CAS Name: hexadecanoic acid [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-2-oxoheptadecyl] ester IUPAC Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-2-oxoheptadecyl] hexadecanoate Traditional Name: palmitic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-heptadecyl] ester Formula: C42H73N5O6 MolecularWeight: 744.05892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H73N5O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(48)38(53-36(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-34(49)31-35(52-39)47-32-44-37-40(47)45-42(43)46-41(37)51/h32,34-35,38-39,49H,3-31H2,1-2H3,(H3,43,45,46,51)