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EDTA (dipotassium dihydrate)

CAT: 0127-OR1005836-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1005836-01Size:25 g
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CAS Number
25102-12-9
Purity
97%
Smiles
O=C(O)CN(CCN(CC(O[K])=O)CC(O)=O)CC(O[K])=O.O.O

Chemical Information

Dipotassium EDTA dihydrate

See also: edetate dipotassium anhydrous (annotation moved to) ... View More ...

CAS Number25102-12-9
PubChem CID53486451
IUPAC Namedipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
Molecular FormulaC10H18K2N2O10
Molecular Weight404.45
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity340
SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.O.O.[K+].[K+]
InChI
InChI=1S/C10H16N2O8.2K.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
InChIKey
JFROQFOCFOKDKU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Dipotassium EDTA dihydrate
CAS: 25102-12-9
CID: 53486451
Formula: C10H18K2N2O10
MW: 404.45
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight404.45
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass404.0235577
Monoisotopic Mass404.0235577
Topological Polar Surface Area163 Ų
Heavy Atom Count24
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes