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

Systemtic Name: (2S,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylic acid Openeye Name: (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanecarboxylic acid IUPAC Name: (2S,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylic acid Traditional Name: (2S,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid Formula: C11H13N5O5 MolecularWeight: 295.25142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5O5/c12-11-14-8-7(9(18)15-11)13-3-16(8)6-1-4(10(19)20)5(2-17)21-6/h3-6,17H,1-2H2,(H,19,20)(H3,12,14,15,18)/t4-,5+,6+/m0/s1