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

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-hydroxy-4-methyl-pentanoic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-hydroxy-4-methylpentanoic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-hydroxy-4-methylpentanoic acid Traditional Name: 2-hydroxy-4-methyl-valeric acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C28H46N2O12 MolecularWeight: 602.67104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H11NO3.2C6H12O3/c2*1-5-8(12)7(4-11)6(3-10)2-9-5;2*1-4(2)3-5(7)6(8)9/h2*2,10-12H,3-4H2,1H3;2*4-5,7H,3H2,1-2H3,(H,8,9)