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

Systemtic Name: [2-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl]phosphonic acid Openeye Name: [3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-propyl]phosphonic acid CAS Name: [3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-2-methylpropyl]phosphonic acid IUPAC Name: [3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-2-methylpropyl]phosphonic acid Traditional Name: [3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-2-methyl-propyl]phosphonic acid Formula: C12H22N2O8P2 MolecularWeight: 384.259202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCC(C)CP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCC(C)CP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C12H22N2O8P2/c1-8(7-23(16,17)18)3-13-5-11-10(6-22-24(19,20)21)4-14-9(2)12(11)15/h4,8,13,15H,3,5-7H2,1-2H3,(H2,16,17,18)(H2,19,20,21)