[3-(hydroxymethyl)-4-methanoyl-6-methyl-5-oxidanyl-pyridin-2-yl]phosphonic acid hydrate

Systemtic Name: [3-(hydroxymethyl)-4-methanoyl-6-methyl-5-oxidanyl-pyridin-2-yl]phosphonic acid hydrate Openeye Name: [4-formyl-5-hydroxy-3-(hydroxymethyl)-6-methyl-2-pyridyl]phosphonic acid hydrate CAS Name: [4-formyl-5-hydroxy-3-(hydroxymethyl)-6-methyl-2-pyridinyl]phosphonic acid hydrate IUPAC Name: [4-formyl-5-hydroxy-3-(hydroxymethyl)-6-methylpyridin-2-yl]phosphonic acid hydrate Traditional Name: (4-formyl-5-hydroxy-6-methyl-3-methylol-2-pyridyl)phosphonic acid hydrate Formula: C8H12NO7P MolecularWeight: 265.157141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)P(=O)(O)O)CO)C=O)O.O

Isomeric SMILES

CC1=C(C(=C(C(=N1)P(=O)(O)O)CO)C=O)O.O

InChI

InChI=1S/C8H10NO6P.H2O/c1-4-7(12)5(2-10)6(3-11)8(9-4)16(13,14)15;/h2,11-12H,3H2,1H3,(H2,13,14,15);1H2