(2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-3-carboxylic acid

Systemtic Name: (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-3-carboxylic acid Openeye Name: (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-3-oxolanecarboxylic acid IUPAC Name: (2S,3S,5R)-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)oxolane-3-carboxylic acid Traditional Name: (2S,3S,5R)-5-(6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid Formula: C11H12N4O5 MolecularWeight: 280.23678

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)C(=O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC3=O)CO)C(=O)O

InChI

InChI=1S/C11H12N4O5/c16-2-6-5(11(18)19)1-7(20-6)15-4-14-8-9(15)12-3-13-10(8)17/h3-7,16H,1-2H2,(H,18,19)(H,12,13,17)/t5-,6+,7+/m0/s1