(3-azanyl-1,4,5-triphosphono-pentan-2-yl)phosphonic acid

Systemtic Name: (3-azanyl-1,4,5-triphosphono-pentan-2-yl)phosphonic acid Openeye Name: [2-amino-3,4-diphosphono-1-(phosphonomethyl)butyl]phosphonic acid CAS Name: (3-amino-1,4,5-triphosphonopentan-2-yl)phosphonic acid IUPAC Name: (3-amino-1,4,5-triphosphonopentan-2-yl)phosphonic acid Traditional Name: [2-amino-3,4-diphosphono-1-(phosphonomethyl)butyl]phosphonic acid Formula: C5H17NO12P4 MolecularWeight: 407.083024

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(CP(=O)(O)O)P(=O)(O)O)N)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(C(C(C(CP(=O)(O)O)P(=O)(O)O)N)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H17NO12P4/c6-5(3(21(13,14)15)1-19(7,8)9)4(22(16,17)18)2-20(10,11)12/h3-5H,1-2,6H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)