[(3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] propanoate

Systemtic Name: [(3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] propanoate Openeye Name: [(3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] propanoate CAS Name: propanoic acid [(3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] propanoate Traditional Name: propionic acid [(3R,4S,5R)-2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C13H17N5O5 MolecularWeight: 323.30458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

Isomeric SMILES

CCC(=O)O[C@@H]1[C@H]([C@H](OC1N2C=NC3=C2N=CN=C3N)CO)O

InChI

InChI=1S/C13H17N5O5/c1-2-7(20)23-10-9(21)6(3-19)22-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,19,21H,2-3H2,1H3,(H2,14,15,16)/t6-,9+,10-,13?/m1/s1