[(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)-oxidanyl-methyl] phosphono hydrogen phosphate

Systemtic Name: [(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)-oxidanyl-methyl] phosphono hydrogen phosphate Openeye Name: [hydroxy-(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl] phosphono hydrogen phosphate CAS Name: [hydroxy-(5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl] phosphono hydrogen phosphate IUPAC Name: [hydroxy-(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl] phosphono hydrogen phosphate Traditional Name: [hydroxy-(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl] phosphono hydrogen phosphate Formula: C8H13NO9P2 MolecularWeight: 329.137642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1C(O)OP(=O)(O)OP(=O)(O)O)C)O

Isomeric SMILES

CC1=C(C(=NC=C1C(O)OP(=O)(O)OP(=O)(O)O)C)O

InChI

InChI=1S/C8H13NO9P2/c1-4-6(3-9-5(2)7(4)10)8(11)17-20(15,16)18-19(12,13)14/h3,8,10-11H,1-2H3,(H,15,16)(H2,12,13,14)