94232-73-2 Purity
96%
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The molecular formula of the compound is C11H23NNa4O6P2.
The molecular weight of the compound is 419.21 g/mol.
The IUPAC name of the compound is tetrasodium; 3,5,5-trimethyl-N,N-bis(phosphonatomethyl)hexan-1-amine.
The InChI of the compound is InChI=1S/C11H27NO6P2.4Na/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18;;;;/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18);;;;/q;4*+1/p-4.
The InChIKey of the compound is QHAFCOFPFIVMIV-UHFFFAOYSA-J.
The canonical SMILES of the compound is CC(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CC(C)(C)C.[Na+].[Na+].[Na+].[Na+].
The CAS number of the compound is 94087-55-5.
There are 0 hydrogen bond donor counts in the compound.
There are 7 hydrogen bond acceptor counts in the compound.
The topological polar surface area of the compound is 130 Ų.