[[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-phosphono-methyl]phosphonic acid Openeye Name: [[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-phosphono-methyl]phosphonic acid CAS Name: [[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-phosphonomethyl]phosphonic acid Traditional Name: [[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-phosphono-methyl]phosphonic acid Formula: C9H17N2O11P3 MolecularWeight: 422.159363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(P(=O)(O)O)P(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(P(=O)(O)O)P(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C9H17N2O11P3/c1-5-8(12)7(6(2-10-5)4-22-25(19,20)21)3-11-9(23(13,14)15)24(16,17)18/h2,9,11-12H,3-4H2,1H3,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)