The Diethylenetriamine penta(methylene phosphonic acid) heptasaodium salt, with the CAS registry number 68155-78-2, is also known as Heptasodium trihydrogen ((bis(2-(bis(phosphonatomethyl)amino)ethyl)amino)methyl)phosphonate. It belongs to the product categories of Organics; Phosphonate antiscalant. Its EINECS registry number is 268-990-9. This chemical's molecular formula is C9H21N3Na7O15P5 and molecular weight is 727.07. Its IUPAC name is called heptasodium [bis[2-[[hydroxy(oxido)phosphoryl]methyl-(phosphonatomethyl)amino]ethyl] amino]methyl-hydroxyphosphinate.
Physical properties of Diethylenetriamine penta(methylene phosphonic acid) heptasaodium salt: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 18; (3)Rotatable Bond Count: 14; (4)Exact Mass: 726.894462; (5)MonoIsotopic Mass: 726.894462; (6)Topological Polar Surface Area: 317; (7)Heavy Atom Count: 39; (8)Formal Charge: 0; (9)Complexity: 739; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 8.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)CN(CP([O-])(O)=O)CCN(CCN(CP([O-])([O-])=O)CP([O-])(=O)O)CP(O)(=O)[O-]
(2)InChI: InChI=1/C9H28N3O15P5.7Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;;;/q;7*+1/p-7
(3)InChIKey: OIPXXWBYRWQVLJ-DNQIFLHYAE
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