3-[6-azanylidene-9-[(2R,4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-yl]propanoic acid

Systemtic Name: 3-[6-azanylidene-9-[(2R,4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-yl]propanoic acid Openeye Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-1-yl]propanoic acid CAS Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-6-imino-1-purinyl]propanoic acid IUPAC Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid Traditional Name: 3-[9-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-1-yl]propionic acid Formula: C13H18N5O8P MolecularWeight: 403.284481

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN(C3=N)CCC(=O)O)COP(=O)(O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=N)CCC(=O)O)COP(=O)(O)O)O

InChI

InChI=1S/C13H18N5O8P/c14-12-11-13(16-5-17(12)2-1-10(20)21)18(6-15-11)9-3-7(19)8(26-9)4-25-27(22,23)24/h5-9,14,19H,1-4H2,(H,20,21)(H2,22,23,24)/t7-,8+,9+/m0/s1