DCTA monohydrate

CAT: 0931-TXB-00293-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0931-TXB-00293-02Size:25 g

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CAS Number

125572-95-4

Bioactivity

DCTA monohydrate is an organic acid known as N, N, N', N'-tetracarboxylic acid, recognized for its strong chelating abilities. It functions as a chelating and coordinating agent for metal ions, effectively forming stable complexes with various metal ions such as calcium, magnesium, and zinc. When modified with ethylene glycol, DCTA exhibits selectivity for calcium ions in the presence of magnesium ions.

Smiles

OC(CN([C@H]1[C@@H](CCCC1)N(CC(O)=O)CC(O)=O)CC(O)=O)=O.O.O

Molecular Formula

C14H26N2O10

Molecular Weight

382.36

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cyclohexane-1,2-diamine-N,N,N',N'-tetraacetic acid monohydrate, trans-

CAS Number	125572-95-4
PubChem CID	2723844
IUPAC Name	2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
Molecular Formula	C14H24N2O9
Molecular Weight	364.35
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	25
Formal Charge	0
Complexity	419

SMILES

C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O

InChI

InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1

InChIKey

VASZYFIKPKYGNC-DHTOPLTISA-N

Chemical Structure

2D Structure

CAS: 125572-95-4

CID: 2723844

Formula: C14H24N2O9

MW: 364.35

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	364.35
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	364.14818035
Monoisotopic Mass	364.14818035
Topological Polar Surface Area	157 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	419
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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DCTA monohydrate

Chemical Information

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