2-[[[1,2-bis(oxidanyl)-2-pyridin-4-yl-ethyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[1,2-bis(oxidanyl)-2-pyridin-4-yl-ethyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[[1,2-dihydroxy-2-(4-pyridyl)ethyl]-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(1,2-dihydroxy-2-pyridin-4-ylethyl)-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(1,2-dihydroxy-2-pyridin-4-ylethyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[[1,2-dihydroxy-2-(4-pyridyl)ethyl]-hydroxy-phosphoryl]methyl]glutaric acid Formula: C13H18NO8P MolecularWeight: 347.257681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(C(O)P(=O)(CC(CCC(=O)O)C(=O)O)O)O

Isomeric SMILES

C1=CN=CC=C1C(C(O)P(=O)(CC(CCC(=O)O)C(=O)O)O)O

InChI

InChI=1S/C13H18NO8P/c15-10(16)2-1-9(12(18)19)7-23(21,22)13(20)11(17)8-3-5-14-6-4-8/h3-6,9,11,13,17,20H,1-2,7H2,(H,15,16)(H,18,19)(H,21,22)