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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5O4/c13-2-9(20)21-3-7-6(19)1-8(22-7)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