[(1S,2R,3S,4R,5R)-2-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate

Systemtic Name: [(1S,2R,3S,4R,5R)-2-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Openeye Name: [(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-[6-(methylamino)purin-9-yl]-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate CAS Name: [(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-[6-(methylamino)-9-purinyl]-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate IUPAC Name: [(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-[6-(methylamino)purin-9-yl]-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Traditional Name: [(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-[6-(methylamino)purin-9-yl]-5-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate Formula: C13H18N5O6P MolecularWeight: 371.285681

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3C4CC4(C(C3O)O)COP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2[C@@H]3[C@H]4C[C@]4([C@H]([C@H]3O)O)COP(=O)(O)O

InChI

InChI=1S/C13H18N5O6P/c1-14-11-7-12(16-4-15-11)18(5-17-7)8-6-2-13(6,10(20)9(8)19)3-24-25(21,22)23/h4-6,8-10,19-20H,2-3H2,1H3,(H,14,15,16)(H2,21,22,23)/t6-,8-,9+,10+,13+/m1/s1