[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl-[oxidanyl-[(2R,3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl-[oxidanyl-[(2R,3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(1R,2S,3R,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[[(1R,2S,3R,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C16H27N5O21P4 MolecularWeight: 749.301524

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C=O)C(C(C(CO)O)O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O

InChI

InChI=1S/C16H27N5O21P4/c17-14-9-15(19-4-18-14)21(5-20-9)16-13(28)12(27)8(38-16)3-37-43(29,30)40-45(33,34)42-46(35,36)41-44(31,32)39-7(2-23)11(26)10(25)6(24)1-22/h2,4-8,10-13,16,22,24-28H,1,3H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,17,18,19)/t6-,7+,8-,10-,11-,12-,13-,16-/m1/s1