(2S)-2-azanyl-3-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C(N=CN=C32)CC(C(=O)O)N)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)C[C@@H](C(=O)O)N)CO)O

InChI

InChI=1S/C13H17N5O5/c14-6(13(21)22)1-7-11-12(16-4-15-7)18(5-17-11)10-2-8(20)9(3-19)23-10/h4-6,8-10,19-20H,1-3,14H2,(H,21,22)/t6-,8-,9+,10+/m0/s1