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

Systemtic Name: [[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-oxidanyl-phosphono-methyl]phosphonic acid Openeye Name: [hydroxy-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]-phosphono-methyl]phosphonic acid CAS Name: [hydroxy-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [hydroxy-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-phosphonomethyl]phosphonic acid Traditional Name: [hydroxy-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]-phosphono-methyl]phosphonic acid Formula: C9H16N2O9P2 MolecularWeight: 358.178862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O9P2/c1-5-8(13)7(6(4-12)2-10-5)3-11-9(14,21(15,16)17)22(18,19)20/h2,11-14H,3-4H2,1H3,(H2,15,16,17)(H2,18,19,20)