[(2S)-1-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-(phosphonomethoxy)ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-(adenin-9-ylmethyl)-2-(phosphonomethoxy)ethoxy]methylphosphonic acid Formula: C10H17N5O8P2 MolecularWeight: 397.218202

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(COCP(=O)(O)O)OCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C[C@@H](COCP(=O)(O)O)OCP(=O)(O)O

InChI

InChI=1S/C10H17N5O8P2/c11-9-8-10(13-3-12-9)15(4-14-8)1-7(23-6-25(19,20)21)2-22-5-24(16,17)18/h3-4,7H,1-2,5-6H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t7-/m0/s1