(2R,3S,4R,5R)-2-[8-[(2R,3R,4R,5R,6S)-2-(aminomethyl)-5-azanyl-6-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3-oxidanyl-oxan-4-yl]oxyoctoxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol

Systemtic Name: (2R,3S,4R,5R)-2-[8-[(2R,3R,4R,5R,6S)-2-(aminomethyl)-5-azanyl-6-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3-oxidanyl-oxan-4-yl]oxyoctoxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Openeye Name: (2R,3S,4R,5R)-2-[8-[(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3-hydroxy-tetrahydropyran-4-yl]oxyoctoxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R,5R)-2-[8-[[(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3-hydroxy-4-oxanyl]oxy]octoxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol IUPAC Name: (2R,3S,4R,5R)-2-[8-[(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3-hydroxyoxan-4-yl]oxyoctoxymethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-adenin-9-yl-5-[8-[(2R,3R,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,3R,4S,6R)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3-hydroxy-tetrahydropyran-4-yl]oxyoctoxymethyl]tetrahydrofuran-3,4-diol Formula: C30H53N9O10 MolecularWeight: 699.79612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)OCCCCCCCCOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)N)O)O)N

Isomeric SMILES

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)OCCCCCCCCOC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)N)O)O)N

InChI

InChI=1S/C30H53N9O10/c31-10-16-22(42)26(18(34)30(48-16)49-25-15(33)9-14(32)20(40)23(25)43)46-8-6-4-2-1-3-5-7-45-11-17-21(41)24(44)29(47-17)39-13-38-19-27(35)36-12-37-28(19)39/h12-18,20-26,29-30,40-44H,1-11,31-34H2,(H2,35,36,37)/t14-,15+,16+,17+,18+,20+,21+,22+,23-,24+,25-,26+,29+,30-/m0/s1