5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-carboxylic acid CAS Name: 5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(hydroxymethyl)oxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3,4-dihydroxy-2-methylol-tetrahydrofuran-2-carboxylic acid Formula: C11H13N5O6 MolecularWeight: 311.25082

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(CO)C(=O)O)O)O

InChI

InChI=1S/C11H13N5O6/c12-7-4-8(14-2-13-7)16(3-15-4)9-5(18)6(19)11(1-17,22-9)10(20)21/h2-3,5-6,9,17-19H,1H2,(H,20,21)(H2,12,13,14)