4-(dimethylamino)-2-oxidanyl-2-phosphono-butanoate

Systemtic Name: 4-(dimethylamino)-2-oxidanyl-2-phosphono-butanoate Openeye Name: 4-(dimethylamino)-2-hydroxy-2-phosphono-butanoate CAS Name: 4-(dimethylamino)-2-hydroxy-2-phosphonobutanoate IUPAC Name: 4-(dimethylamino)-2-hydroxy-2-phosphonobutanoate Traditional Name: 4-(dimethylamino)-2-hydroxy-2-phosphono-butyrate Formula: C6H13NO6P- MolecularWeight: 226.144281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C(=O)[O-])(O)P(=O)(O)O

Isomeric SMILES

CN(C)CCC(C(=O)[O-])(O)P(=O)(O)O

InChI

InChI=1S/C6H14NO6P/c1-7(2)4-3-6(10,5(8)9)14(11,12)13/h10H,3-4H2,1-2H3,(H,8,9)(H2,11,12,13)/p-1