[[(2R,3S,5R)-5-(2-azanyl-6-methoxy-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-(2-azanyl-6-methoxy-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,5R)-5-(2-amino-6-methoxy-9-purinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H18N5O13P3 MolecularWeight: 521.207603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N

InChI

InChI=1S/C11H18N5O13P3/c1-25-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(27-7)3-26-31(21,22)29-32(23,24)28-30(18,19)20/h4-7,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1