EDTA tripotassium salt dihydrate

CAS 65501-24-8  ·  C₁₀H₁₇K₃N₂O₁₀  ·  MW 442.54 g/mol

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3D model EDTA tripotassium salt dihydrate, CAS 65501-24-8, molecular formula C₁₀H₁₇K₃N₂O₁₀, molar mass 442.54 g/mol
About EDTA tripotassium salt dihydrate

EDTA tripotassium salt dihydrate is a chemical compound registered under number CAS 65501-24-8, with the molecular formula C₁₀H₁₇K₃N₂O₁₀, and a molar mass of 442.54 g/mol.

The molecule contains 42 atoms connected by 36 chemical bonds. The full systematic IUPAC name of this compound is tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 166 Ų, 3 donors and 12 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₁₀H₁₇K₃N₂O₁₀
Molar mass442.54 g/mol
IUPACtripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate
SMILESC(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+]
InChIKeyMAPFUJCWRWFQIY-UHFFFAOYSA-K
logP (XLogP3)—
PSA166 Ų
HBD / HBA3 / 12
PubChem CIDCID 2733162 ↗
Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Edta tripotassium salt dihydrate · RefChem:1084049 · DTXCID00320811 · 65501-24-8 · Ethylenediaminetetraacetic acid tripotassium salt dihydrate · Potassium 2,2'-((2-((carboxylatomethyl)(carboxymethyl)amino)ethyl)azanediyl)diacetate dihydrate · C10H17K3N2O10 · MFCD00149672 · Tripotassium EDTA Dihydrate · Tripotassium ethylenediaminetetraacetate dihydrate · tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate · EDTA dihydrate tripotassium · EDTA (dihydrate tripotassium) · orb2942265 · SCHEMBL28552886
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 6 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/2733162
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
EDTA tripotassium salt dihydrate (CAS 65501-24-8), C₁₀H₁₇K₃N₂O₁₀ - 3D ball-and-stick molecular model, engraved element symbols (C H K N O), MolGod STL previewDownload image

MG-STL-65501-24-8-ENGRAVED · 610,118 △ · 29 MB · SHA-256 023f8c24922305f3

Download 3D model · ENGRAVED · C H K N O

EDTA tripotassium salt dihydrate (CAS 65501-24-8), C₁₀H₁₇K₃N₂O₁₀ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-65501-24-8-NORMAL · 17,280 △ · 844 KB · SHA-256 ee62c5b01e2aac1e

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Model
EDTA tripotassium salt dihydrate · 65501-24-8
InChIKey
MAPFUJCWRWFQIY-UHFFFAOYSA-K
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — EDTA tripotassium salt dihydrate (CAS 65501-24-8)
License & provenance record
EDTA tripotassium salt dihydrate (CAS 65501-24-8) →
MolGod molecule record
EDTA tripotassium salt dihydrate →
Source data
PubChem CID 2733162 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
ee62c5b01e2aac1e83cc881bb55ecf5fc4369b5e016242bc8c2bc69987d15121
MD5 (STL)
888cc7b58a2d36ad5367d0e7063c1251
Model identifier
MG-STL-65501-24-8
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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