[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(5-octyl-6-oxidanyl-8-oxidanylidene-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(5-octyl-6-oxidanyl-8-oxidanylidene-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-5-octyl-8-oxo-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-adenin-9-yl-4-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-8-keto-5-octyl-4a,5,6,7-tetrahydro-2,7-naphthyridin-2-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C31H48N7O18P3 MolecularWeight: 899.670203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C2C=CN(C=C2C(=O)NC1O)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OP(=O)(O)O)O)O)O

Isomeric SMILES

CCCCCCCCC1C2C=CN(C=C2C(=O)NC1O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C31H48N7O18P3/c1-2-3-4-5-6-7-8-17-16-9-10-37(11-18(16)29(43)36-28(17)42)30-24(41)22(39)19(53-30)12-51-58(47,48)55-25-23(40)20(13-52-59(49,50)56-57(44,45)46)54-31(25)38-15-35-21-26(32)33-14-34-27(21)38/h9-11,14-17,19-20,22-25,28,30-31,39-42H,2-8,12-13H2,1H3,(H,36,43)(H,47,48)(H,49,50)(H2,32,33,34)(H2,44,45,46)/t16?,17?,19-,20-,22-,23-,24-,25-,28?,30-,31-/m1/s1