[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-phosphono-methanesulfonic acid

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]-phosphono-methanesulfonic acid Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]-phosphono-methanesulfonic acid CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]-phosphonomethanesulfonic acid IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]-phosphonomethanesulfonic acid Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]-phosphono-methanesulfonic acid Formula: C11H17N5O12P2S MolecularWeight: 505.291502

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(C(P(=O)(O)O)S(=O)(=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)(C(P(=O)(O)O)S(=O)(=O)O)O)O)O

InChI

InChI=1S/C11H17N5O12P2S/c12-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(28-10)1-27-30(22,23)11(29(19,20)21)31(24,25)26/h2-4,6-7,10-11,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)(H,24,25,26)/t4-,6-,7-,10-,11?/m1/s1