(4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; (phosphonoamino)phosphonic acid

Systemtic Name: (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; (phosphonoamino)phosphonic acid Openeye Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; (phosphonoamino)phosphonic acid CAS Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; (phosphonoamino)phosphonic acid IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; (phosphonoamino)phosphonic acid Traditional Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; (phosphonoamino)phosphonic acid Formula: C4H18N2O13P4 MolecularWeight: 426.086364

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.N(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.N(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H13NO7P2.H5NO6P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;2-8(3,4)1-9(5,6)7/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);(H5,1,2,3,4,5,6,7)