(2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylic acid

Systemtic Name: (2S,3S,5R)-5-(2-azanylpurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylic acid Openeye Name: (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3S,5R)-5-(2-amino-9-purinyl)-2-(hydroxymethyl)-3-oxolanecarboxylic acid IUPAC Name: (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3-carboxylic acid Traditional Name: (2S,3S,5R)-5-(2-aminopurin-9-yl)-2-methylol-tetrahydrofuran-3-carboxylic acid Formula: C11H13N5O4 MolecularWeight: 279.25202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=CN=C(N=C32)N)CO)C(=O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=CN=C(N=C32)N)CO)C(=O)O

InChI

InChI=1S/C11H13N5O4/c12-11-13-2-6-9(15-11)16(4-14-6)8-1-5(10(18)19)7(3-17)20-8/h2,4-5,7-8,17H,1,3H2,(H,18,19)(H2,12,13,15)/t5-,7+,8+/m0/s1