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

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-chloranylethanoate Openeye Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl] ester Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OC(=O)CCl

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)OC(=O)CCl

InChI

InChI=1S/C12H14ClN5O4/c13-2-9(20)22-6-1-8(21-7(6)3-19)18-5-17-10-11(14)15-4-16-12(10)18/h4-8,19H,1-3H2,(H2,14,15,16)/t6-,7+,8+/m0/s1