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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO

Isomeric SMILES

CCC(=O)OC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C13H17N5O5/c1-2-7(20)23-10-6(3-19)22-13(9(10)21)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)