[(2R,3S,4R,5R)-3-[[(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanylpyrimidin-5-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen

Systemtic Name: [(2R,3S,4R,5R)-3-[[(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanylpyrimidin-5-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen Openeye Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2-aminopyrimidin-5-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl hydroge CAS Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] [(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(2-amino-5-pyrimidinyl)-4-hydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2-aminopyrimidin-5-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-3-[[(2R,3S,4S,5S)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2-aminopyrimidin-5-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate Formula: C48H60N20O32P4 MolecularWeight: 1552.999844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)C4=CN=C(N=C4)N)COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C6NC(=NC7=O)N)COP(=O)(O)OC8C(OC(C8O)N9C=NC1=C9NC(=NC1=O)N)CO)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=CN=C2N)O)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)C4=CN=C(N=C4)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C6NC(=NC7=O)N)COP(=O)(O)O[C@@H]8[C@H](O[C@H]([C@@H]8O)N9C=NC1=C9NC(=NC1=O)N)CO)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=CN=C2N)O)O)O

InChI

InChI=1S/C48H60N20O32P4/c49-35-21-36(56-10-55-35)66(11-57-21)41-25(72)24(71)16(94-41)6-88-101(80,81)99-33-18(95-42(28(33)75)65-2-1-20(70)60-48(65)79)8-91-103(84,85)98-32-17(92-30(26(32)73)14-3-53-45(50)54-4-14)7-89-104(86,87)100-34-19(96-44(29(34)76)68-13-59-23-38(68)62-47(52)64-40(23)78)9-90-102(82,83)97-31-15(5-69)93-43(27(31)74)67-12-58-22-37(67)61-46(51)63-39(22)77/h1-4,10-13,15-19,24-34,41-44,69,71-76H,5-9H2,(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H2,49,55,56)(H2,50,53,54)(H,60,70,79)(H3,51,61,63,77)(H3,52,62,64,78)/t15-,16-,17-,18-,19-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,41-,42-,43-,44-/m1/s1