1-[[3-(hydroxymethyl)-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylphosphonic acid

Systemtic Name: 1-[[3-(hydroxymethyl)-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylphosphonic acid Openeye Name: 1-[[3-(hydroxymethyl)-5-(phosphonooxymethyl)-4-pyridyl]methylamino]ethylphosphonic acid CAS Name: 1-[[3-(hydroxymethyl)-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]ethylphosphonic acid IUPAC Name: 1-[[3-(hydroxymethyl)-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylphosphonic acid Traditional Name: 1-[[3-methylol-5-(phosphonooxymethyl)-4-pyridyl]methylamino]ethylphosphonic acid Formula: C10H18N2O8P2 MolecularWeight: 356.206042

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC1=C(C=NC=C1CO)COP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NCC1=C(C=NC=C1CO)COP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H18N2O8P2/c1-7(21(14,15)16)12-4-10-8(5-13)2-11-3-9(10)6-20-22(17,18)19/h2-3,7,12-13H,4-6H2,1H3,(H2,14,15,16)(H2,17,18,19)