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

Systemtic Name: [acetyloxy-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]phosphonic acid Openeye Name: [acetoxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]phosphonic acid CAS Name: [acetyloxy-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]phosphonic acid IUPAC Name: [acetyloxy-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]phosphonic acid Traditional Name: [acetoxy-(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]phosphonic acid Formula: C10H14NO7P MolecularWeight: 291.194421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C(OC(=O)C)P(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C(OC(=O)C)P(=O)(O)O

InChI

InChI=1S/C10H14NO7P/c1-5-9(14)8(4-12)7(3-11-5)10(18-6(2)13)19(15,16)17/h3,10,12,14H,4H2,1-2H3,(H2,15,16,17)