[3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-phosphono-propyl]phosphonic acid Formula: C11H21N2O12P3 MolecularWeight: 466.211923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N2O12P3/c1-7-10(14)9(8(4-13-7)6-25-28(22,23)24)5-12-3-2-11(15,26(16,17)18)27(19,20)21/h4,12,14-15H,2-3,5-6H2,1H3,(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)