[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-2-[[[5-(2-amino-6-keto-3H-purin-9-yl)-2-[[[5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [5-(2-amino-6-keto-3H-purin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C40H50N20O25P4 MolecularWeight: 1334.839044

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)OP(=O)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8NC(=NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)OP(=O)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8NC(=NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)OP(=O)(O)O

InChI

InChI=1S/C40H50N20O25P4/c41-37-49-29-25(33(62)53-37)45-9-57(29)21-1-13(17(5-61)78-21)83-87(69,70)76-7-19-15(3-23(80-19)59-11-47-27-31(59)51-39(43)55-35(27)64)85-89(73,74)77-8-20-16(4-24(81-20)60-12-48-28-32(60)52-40(44)56-36(28)65)84-88(71,72)75-6-18-14(82-86(66,67)68)2-22(79-18)58-10-46-26-30(58)50-38(42)54-34(26)63/h9-24,61H,1-8H2,(H,69,70)(H,71,72)(H,73,74)(H2,66,67,68)(H3,41,49,53,62)(H3,42,50,54,63)(H3,43,51,55,64)(H3,44,52,56,65)