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

Systemtic Name: [3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]-1-phosphono-propyl]phosphonic acid Formula: C11H20N2O9P2 MolecularWeight: 386.232022

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O9P2/c1-7-10(15)9(8(6-14)4-13-7)5-12-3-2-11(16,23(17,18)19)24(20,21)22/h4,12,14-16H,2-3,5-6H2,1H3,(H2,17,18,19)(H2,20,21,22)