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BAPTA tetrasodium salt hydrate

CAT: 0862-GK3735-250mgSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0862-GK3735-250mgSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126824-24-6
Purity
98.00%
Molecular Formula
C22H20N2Na4O10
Molecular Weight
564.37
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

BAPTA-Na4
CAS Number126824-24-6
PubChem CID2734965
IUPAC Nametetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]phenoxy]ethoxy]-N-(carboxylatomethyl)anilino]acetate
Molecular FormulaC22H20N2Na4O10
Molecular Weight564.4
Topological Polar Surface Area185
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity591
SMILES
C1=CC=C(C(=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=CC=CC=C2N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C22H24N2O10.4Na/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32;;;;/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;/q;4*+1/p-4
InChIKey
ZWSMLJACYSGFKD-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of BAPTA-Na4
CAS: 126824-24-6
CID: 2734965
Formula: C22H20N2Na4O10
MW: 564.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass564.07087197
Monoisotopic Mass564.07087197
Topological Polar Surface Area185 Ų
Heavy Atom Count38
Formal Charge0
Complexity591
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

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