2-(6-aminopurin-9-yl)ethoxymethyl-[2,3,4-tris(oxidanyl)butoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2,3,4-tris(oxidanyl)butoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,3,4-trihydroxybutoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,3,4-trihydroxybutoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,3,4-trihydroxybutoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl(2,3,4-trihydroxybutoxy)phosphinic acid Formula: C12H20N5O7P MolecularWeight: 377.290261

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(C(CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCOCP(=O)(O)OCC(C(CO)O)O

InChI

InChI=1S/C12H20N5O7P/c13-11-10-12(15-5-14-11)17(6-16-10)1-2-23-7-25(21,22)24-4-9(20)8(19)3-18/h5-6,8-9,18-20H,1-4,7H2,(H,21,22)(H2,13,14,15)