Hexadecapotassium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13lambda⁵-phosphatridec-1-yl]phospho nate
[CAS# 93858-89-0]

Identification

• Name: Hexadecapotassium [2-{2-[{2-[bis(phosphonatomethyl)amino]ethyl}(phosphonatomethyl)amino]ethyl}-13,13,13-trioxido-5,8,11-tris(phosphonatomethyl)-2,5,8,11-tetraaza-13lambda⁵-phosphatridec-1-yl]phospho nate
• Synonyms: hexadecapotassium [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate
• Molecular Formula: C₁₈H₃₆K₁₆N₆O₂₄P₈
• Molecular Weight: 1593.87
• CAS Registry Number: 93858-89-0
• EINECS: 299-324-5
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P([O-])(=O)CN(CP(=O)([O-])[O-])CCN(CCN(CCN(CCN(CCN(CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O)CP([O-])([O-])=O
• InChI: 1S/C18H52N6O24P8.16K/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);;;;;;;;;;;;;;;;/q;16*+1/p-16
• InChIKey: PYBZBDDWQUCGFF-UHFFFAOYSA-A