4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanylidenepentanedioic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanylidenepentanedioic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxopentanedioic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-oxopentanedioic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-oxopentanedioic acid Traditional Name: 2-ketoglutaric acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C21H28N2O11 MolecularWeight: 484.45382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CC1=NC=C(C(=C1O)CO)CO.C(CC(=O)O)C(=O)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CC1=NC=C(C(=C1O)CO)CO.C(CC(=O)O)C(=O)C(=O)O

InChI

InChI=1S/2C8H11NO3.C5H6O5/c2*1-5-8(12)7(4-11)6(3-10)2-9-5;6-3(5(9)10)1-2-4(7)8/h2*2,10-12H,3-4H2,1H3;1-2H2,(H,7,8)(H,9,10)