bis[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl] hydrogen phosphate

Systemtic Name: bis[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl] hydrogen phosphate Openeye Name: bis[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl] hydrogen phosphate CAS Name: bis[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl] hydrogen phosphate IUPAC Name: bis[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl] hydrogen phosphate Traditional Name: bis(3-hydroxy-2-methyl-5-methylol-4-pyridyl) hydrogen phosphate Formula: C14H17N2O8P MolecularWeight: 372.267141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)OP(=O)(O)OC2=C(C(=NC=C2CO)C)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)OP(=O)(O)OC2=C(C(=NC=C2CO)C)O)CO

InChI

InChI=1S/C14H17N2O8P/c1-7-11(19)13(9(5-17)3-15-7)23-25(21,22)24-14-10(6-18)4-16-8(2)12(14)20/h3-4,17-20H,5-6H2,1-2H3,(H,21,22)