ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate hydrochloride

Systemtic Name: ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxylate hydrochloride Openeye Name: ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carboxylate hydrochloride CAS Name: (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate hydrochloride Traditional Name: (2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid ethyl ester hydrochloride Formula: C12H16ClN5O5 MolecularWeight: 345.73894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.Cl

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.Cl

InChI

InChI=1S/C12H15N5O5.ClH/c1-2-21-12(20)8-6(18)7(19)11(22-8)17-4-16-5-9(13)14-3-15-10(5)17;/h3-4,6-8,11,18-19H,2H2,1H3,(H2,13,14,15);1H/t6-,7+,8-,11+;/m0./s1