[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hexadecanoylamino)methyl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

Systemtic Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hexadecanoylamino)methyl]-4-oxidanyl-oxolan-3-yl] hydrogen phosphate Openeye Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hexadecanoylamino)methyl]-4-hydroxy-tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-oxolanyl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[(1-oxohexadecylamino)methyl]-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hexadecanoylamino)methyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate Traditional Name: [(2S,4R,5R)-5-adenin-9-yl-4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-(palmitamidomethyl)tetrahydrofuran-3-yl] hydrogen phosphate Formula: C46H68N16O15P2 MolecularWeight: 1147.077842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)OCC4CC(C(O4)N5C=NC6=C5N=CN=C6N)OP(=O)(O)OCC7C(C(C(O7)N8C=NC9=C8N=CN=C9N)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)OP(=O)(O)OC[C@@H]4C[C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C8N=CN=C9N)O)O)O

InChI

InChI=1S/C46H68N16O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(63)50-17-28-35(65)37(46(74-28)62-25-59-33-40(49)53-22-56-43(33)62)77-79(69,70)71-18-26-16-27(44(73-26)60-23-57-31-38(47)51-20-54-41(31)60)76-78(67,68)72-19-29-34(64)36(66)45(75-29)61-24-58-32-39(48)52-21-55-42(32)61/h20-29,34-37,44-46,64-66H,2-19H2,1H3,(H,50,63)(H,67,68)(H,69,70)(H2,47,51,54)(H2,48,52,55)(H2,49,53,56)/t26-,27+,28+,29+,34+,35+,36+,37+,44+,45+,46+/m0/s1