5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde phosphate

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde phosphate Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde phosphate CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde phosphate IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde phosphate Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde phosphate Formula: C8H9NO7P-3 MolecularWeight: 262.133321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H9NO3.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-5(2,3)4/h2,4,10,12H,3H2,1H3;(H3,1,2,3,4)/p-3