[17-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-16,18-bis(oxidanylidene)tritriacontan-17-yl] hexadecanoate

Systemtic Name: [17-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-16,18-bis(oxidanylidene)tritriacontan-17-yl] hexadecanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-hexadecanoyl-2-oxo-heptadecyl] hexadecanoate CAS Name: hexadecanoic acid [17-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-16,18-dioxotritriacontan-17-yl] ester IUPAC Name: [17-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-16,18-dioxotritriacontan-17-yl] hexadecanoate Traditional Name: palmitic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-hexadecanoyl-2-keto-heptadecyl] ester Formula: C58H103N5O7 MolecularWeight: 982.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H103N5O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(65)58(50(66)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2,70-52(67)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-48(64)46-51(69-54)63-47-60-53-55(63)61-57(59)62-56(53)68/h47-48,51,54,64H,4-46H2,1-3H3,(H3,59,61,62,68)