[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-(2-hydroxyethyl)-N-methyl-phosphonamidic acid

Systemtic Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-(2-hydroxyethyl)-N-methyl-phosphonamidic acid Openeye Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-(2-hydroxyethyl)-N-methyl-phosphonamidic acid CAS Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(2-hydroxyethyl)-N-methylphosphonamidic acid IUPAC Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(2-hydroxyethyl)-N-methylphosphonamidic acid Traditional Name: [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-(2-hydroxyethyl)-N-methyl-phosphonamidic acid Formula: C13H23N6O13P3 MolecularWeight: 564.275403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)P(=O)(O)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CN(CCO)P(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C13H23N6O13P3/c1-18(2-3-20)33(23,24)31-35(27,28)32-34(25,26)29-4-7-9(21)10(22)13(30-7)19-6-17-8-11(14)15-5-16-12(8)19/h5-7,9-10,13,20-22H,2-4H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1