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

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; phosphono dihydrogen phosphate Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; phosphono dihydrogen phosphate CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; phosphono dihydrogen phosphate IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; phosphono dihydrogen phosphate Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; phosphono dihydrogen phosphate Formula: C8H13NO10P2 MolecularWeight: 345.137042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.H4O7P2/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-8(2,3)7-9(4,5)6/h2,4,10,12H,3H2,1H3;(H2,1,2,3)(H2,4,5,6)