[(2R,5S)-2-(6-aminopurin-9-yl)-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid

Systemtic Name: [(2R,5S)-2-(6-aminopurin-9-yl)-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid Openeye Name: [(2R,5S)-2-(6-aminopurin-9-yl)-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid CAS Name: [(2R,5S)-2-(6-aminopurin-9-yl)-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid IUPAC Name: [(2R,5S)-2-(6-aminopurin-9-yl)-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid Traditional Name: [(2R,5S)-2-adenin-9-yl-5-ethynyl-2H-furan-5-yl]oxymethylphosphonic acid Formula: C12H12N5O5P MolecularWeight: 337.227941

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C=CC(O1)N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

C#C[C@]1(C=C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C12H12N5O5P/c1-2-12(21-7-23(18,19)20)4-3-8(22-12)17-6-16-9-10(13)14-5-15-11(9)17/h1,3-6,8H,7H2,(H2,13,14,15)(H2,18,19,20)/t8-,12+/m1/s1