O1-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl] O4-(2,3-dihexadecoxypropyl) butanedioate

Systemtic Name: O1-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl] O4-(2,3-dihexadecoxypropyl) butanedioate Openeye Name: O1-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl] O4-(2,3-dihexadecoxypropyl) butanedioate CAS Name: butanedioic acid O1-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methyl] ester O4-(2,3-dihexadecoxypropyl) ester IUPAC Name: 1-O-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl] 4-O-(2,3-dihexadecoxypropyl) butanedioate Traditional Name: succinic acid O1-[[(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methyl] ester O4-(2,3-dicetyloxypropyl) ester Formula: C49H87N5O8 MolecularWeight: 874.24378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)CCC(=O)OCC1CC(C(O1)N2C=NC3=C2N=CN=C3N)O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)CCC(=O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H87N5O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-58-36-42(59-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-61-45(57)32-31-44(56)60-37-41-35-43(55)49(62-41)54-40-53-46-47(50)51-39-52-48(46)54/h39-43,49,55H,3-38H2,1-2H3,(H2,50,51,52)/t41-,42?,43+,49+/m0/s1