85480-89-3
[1,2-ETHANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONIC ACID CALCIUM SODIUM SALT
Name[1,2-ETHANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONIC ACID CALCIUM SODIUM SALT
FormulaC6 H12 N2 O12 P4 . 2 Ca . 4 Na
1Identification
【Name】
[1,2-ETHANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONIC ACID CALCIUM SODIUM SALT
【CAS】
【MDL】
MFCD16621049
【English Synonyms】
【Formula】
C6 H12 N2 O12 P4 . 2 Ca . 4 Na
【MolWeight】
600.175
【Inchi】
InChI=1S/C6H20N2O12P4.2Ca.4Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;2*+2;4*+1/p-8
【InChIKey】
InChIKey=GMCGTEQWIBTBBA-UHFFFAOYSA-F
【SMILES】
C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Ca+2].[Ca+2]
【MOL File】
[1,2-ETHANEDIYLBIS[N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:14
XLogP3:-6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[1,2-ETHANEDIYLBIS[NITRILOBIS(METHYLENE)]]TETRAKISPHOSPHONIC ACID CALCIUM SODIUM SALT.cml