2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethyl-3-oxidanyl-propoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethyl-3-oxidanyl-propoxy)phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hydroxy-2,2-dimethyl-propoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-hydroxy-2,2-dimethylpropoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-(3-hydroxy-2,2-dimethyl-propoxy)phosphinic acid Formula: C13H22N5O5P MolecularWeight: 359.318041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CC(C)(CO)COP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C13H22N5O5P/c1-13(2,5-19)6-23-24(20,21)9-22-4-3-18-8-17-10-11(14)15-7-16-12(10)18/h7-8,19H,3-6,9H2,1-2H3,(H,20,21)(H2,14,15,16)